SCHEMBL620296

SCHEMBL620296

CN[C@@H](C)C/C=C/c1cncc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.78
CHRNA4 P43681 3/20 0.78
ROCK2 O75116 2/20 0.50
MAP4K4 O95819 2/20 0.50
PRKACA P17612 2/20 0.50
ROCK1 Q13464 2/20 0.50
DYRK1A Q13627 2/20 0.50
PKN2 Q16513 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
STK17A Q9UEE5 2/20 0.50
NTRK3 Q16288 1/20 0.50
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
AKT1 P31749 4/20 0.38
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
AURKA O14965 1/20 0.34
ERBB2 P04626 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL620297 1.00 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL621495 1.00 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL617913 1.00 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL621496 1.00 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
SCHEMBL617912 1.00 CHRNB2 (0.78) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
Hydrochloric Acid SCHEMBL3959048 0.99 CHRNB2 (0.76) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
Hydrochloric Acid SCHEMBL3958637 0.99 CHRNB2 (0.76) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
Phosphoric Acid SCHEMBL3957257 0.92 CHRNB2 (0.67) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
Fumaric Acid SCHEMBL3961180 0.90 CHRNB2 (0.65) CHRNB2CHRNA4ROCK2MAP4K4PRKACA
Maleic Acid SCHEMBL3952127 0.90 CHRNB2 (0.65) CHRNB2CHRNA4ROCK2MAP4K4PRKACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO claimed
US-20080249142-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders TARGACEPT, INC. (US) 2008-10-09 US claimed
WO-2008091592-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS TARGACEPT, INC. (US) 2008-07-31 WO claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US claimed
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP claimed
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM S 2006-12-28 US claimed
US-20060122238-A1 Hydroxybenzoate salts of metanicotine compounds DULL GARY M 2006-06-08 US claimed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO claimed
US-7045538-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2006-05-16 US claimed
JP-2006511482-A 2006-04-06 JP claimed
US-6979695-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2005-12-27 US claimed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP claimed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO claimed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US claimed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
EP-1814852-B1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS CATALYST BIOSCIENCES INC (US) 2016-01-20 EP disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2015-11-05 US disclosed
US-9107915-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2015-08-18 US disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2014-09-25 US disclosed
US-8778978-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2014-07-15 US disclosed
US-8703802-B2 Process for the preparation of aryl substituted olefinic amines TARGACEPT, INC. (US) 2014-04-22 US disclosed
US-8703802-B2 Process for the preparation of aryl substituted olefinic amines TARGACEPT, INC. (US) 2014-04-22 US disclosed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2014-02-06 US disclosed
US-8580826-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2013-11-12 US disclosed
US-20130225827-A1 New Process for the Preparation of Aryl Substituted Olefinic Amines TARGACEPT, INC. (US) 2013-08-29 US disclosed
US-20130225827-A1 New Process for the Preparation of Aryl Substituted Olefinic Amines TARGACEPT, INC. (US) 2013-08-29 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
EP-2371818-B1 Hydroxybenzoate salts of metanicotine compounds TARGACEPT INC (US) 2012-12-26 EP disclosed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP disclosed
US-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MUNOZ JULIO A (US) 2012-02-16 US disclosed
US-8053451-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2011-11-08 US disclosed
EP-2371818-A1 Hydroxybenzoate salts of metanicotine compounds Targacept, Inc. (US) 2011-10-05 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
US-20110190314-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
EP-2297140-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-03-23 EP disclosed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
EP-2253616-A1 Process for the preparation of compounds capable of activating cholinergic receptors Targacept, Inc. (US) 2010-11-24 EP disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
WO-2009018367-A3 SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2010-05-27 WO disclosed
US-20100028447-A1 Intranasal, Buccal, And Sublingual Administration Of Metanicotine Analogs TARGACEPT, INC. (US) 2010-02-04 US disclosed
US-20100028447-A1 Intranasal, Buccal, And Sublingual Administration Of Metanicotine Analogs TARGACEPT, INC. (US) 2010-02-04 US disclosed
US-20100028447-A1 Intranasal, Buccal, And Sublingual Administration Of Metanicotine Analogs TARGACEPT, INC. (US) 2010-02-04 US disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 WO disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
EP-2112923-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS Targacept Inc. (US) 2009-11-04 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO disclosed
US-20090062321-A1 Hydroxybenzoate Salts Of Metanicotine Compounds TARGACEPT, INC. (US) 2009-03-05 US disclosed
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO disclosed
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO disclosed
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO disclosed
US-7459469-B2 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders TARGACEPT, INC. (US) 2008-12-02 US disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
US-20080249142-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders TARGACEPT, INC. (US) 2008-10-09 US disclosed
WO-2008091588-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS TARGACEPT, INC. (US) 2008-07-31 WO disclosed
WO-2008091592-A1 INTRANASAL, BUCCAL, AND SUBLINGUAL ADMINISTRATION OF METANICOTINE ANALOGS TARGACEPT, INC. (US) 2008-07-31 WO disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
EP-1814852-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP disclosed
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP disclosed
US-20060122237-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders TARGACEPT, INC. 2006-06-08 US disclosed
US-20060122238-A1 Hydroxybenzoate salts of metanicotine compounds DULL GARY M 2006-06-08 US disclosed
WO-2006053082-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO disclosed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO disclosed
US-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (21 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 CHRNB2 8/4885CHRNA4 1/4885ROCK2 3185/4885
US-20130225827-A1 New Process for the Preparation of Aryl Substituted Olefinic Amines PNMT, MAOB, AOC2 CHRNB2 962/4885CHRNA4 476/4885ROCK2 2309/4885
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 573/4885CHRNA4 1876/4885ROCK2 3807/4885
US-20110190314-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA4 1/4885ROCK2 2944/4885
US-20060122237-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders NTRK1, CHRNA10, CHRNB2 CHRNB2 3/4885CHRNA4 21/4885ROCK2 4239/4885
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885ROCK2 3771/4885
US-20120041033-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885ROCK2 3771/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885ROCK2 3629/4885
US-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E CHRNB2 227/4885CHRNA4 145/4885ROCK2 2569/4885
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT CHRNB2 573/4885CHRNA4 1876/4885ROCK2 3807/4885
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 CHRNB2 14/4885CHRNA4 3/4885ROCK2 1907/4885
US-20060122238-A1 Hydroxybenzoate salts of metanicotine compounds MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885ROCK2 3771/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CHRNB2 3741/4885CHRNA4 4109/4885ROCK2 584/4885
US-20100028447-A1 Intranasal, Buccal, And Sublingual Administration Of Metanicotine Analogs MTNR1B, MTNR1A, MTX1 CHRNB2 600/4885CHRNA4 1471/4885ROCK2 3790/4885
US-20090062321-A1 Hydroxybenzoate Salts Of Metanicotine Compounds MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885ROCK2 3771/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA4 1/4885ROCK2 2944/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 CHRNB2 12/4885CHRNA4 1/4885ROCK2 2664/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 CHRNB2 8/4885CHRNA4 1/4885ROCK2 3185/4885
US-20060293289-A1 Compounds Capable of Activating Cholinergic Receptors CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885ROCK2 2196/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA4 1/4885ROCK2 2944/4885
US-20080249142-A1 N-methyl-5-(5-isopropoxy-3-pyridinyl)-4-penten-2-amine p-hydroxybenzoate; compounds can activate nicotinic receptor and can modulate neurotransmitter secretion; neuroprotective agents; side effects reduction; pains; easy to remove impurities; heck coupling reaction; CNS disorders; inflammatory disorders NTRK1, CHRNA10, CHRNB2 CHRNB2 3/4885CHRNA4 21/4885ROCK2 4257/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.