SCHEMBL620178

SCHEMBL620178

CN[C@H](C)C/C=C/c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 1.00
CHRNA4 P43681 3/20 1.00
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA7 P36544 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALOX5 P09917 2/20 0.46
TBXAS1 P24557 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
JUN P05412 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2472109 1.00 CHRNB2 (1.00) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL620179 1.00 CHRNB2 (1.00) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3011080 1.00 CHRNB2 (1.00) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL620443 1.00 CHRNB2 (1.00) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL620444 1.00 CHRNB2 (1.00) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL2472105 1.00 CHRNB2 (1.00) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL4058522 0.85 CHRNB2 (0.74) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3022184 0.85 CHRNB2 (0.74) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL4058531 0.85 CHRNB2 (0.74) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3022188 0.85 CHRNB2 (0.74) CHRNB2CHRNA4MEN1KMT2ACHRNB4

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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4240815-B2 2009-03-18 JP 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
CN-101068784-A Hydroxybenzoate salts of metanicotine compounds TARGACEPT INC (US) 2007-11-07 CN claimed
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP 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
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
EP-1086082-B9 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2005-03-02 EP claimed
US-20040214835-A1 Compounds capable of activating cholinergic receptors CALDWELL WILLIAM SCOTT (US) 2004-10-28 US claimed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 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
JP-2002518373-A 2002-06-25 JP claimed
US-20020052497-A1 Compounds capable of activating cholinergic receptors TARGACEPT, INC. 2002-05-02 US claimed
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 EP claimed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO claimed
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE UNIVERSITY OF SOUTH FLORIDA (US) 2018-04-05 US disclosed
WO-1999043322-A1 METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN WAKE FOREST UNIVERSITY (US) 1999-09-02 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 (6 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-20020052497-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885MEN1 2465/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885MEN1 1093/4885
US-20180092916-A1 METHODS OF TREATING DISEASE-INDUCED ATAXIA AND NON-ATAXIC IMBALANCE CHRNA6, CHRNA7, CHRNA2 CHRNB2 9/4885CHRNA4 7/4885MEN1 4139/4885
US-20060122238-A1 Hydroxybenzoate salts of metanicotine compounds MAOB, SLC6A3, HTT CHRNB2 564/4885CHRNA4 1861/4885MEN1 171/4885
US-20040214835-A1 Compounds capable of activating cholinergic receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885MEN1 2465/4885
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 21/4885MEN1 1472/4885

“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.