SCHEMBL3016752

SCHEMBL3016752

CC(O)C/C=C/c1cncc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
AKT1 P31749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PADI4 Q9UM07 1/20 0.31
HTR2A P28223 3/20 0.31
PTGS2 P35354 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL3016756 1.00 CHRNB2 (0.43) CHRNB2CHRNA4AKT1KDM4EPOLB
SCHEMBL3018045 0.83 EGFR (0.41) CHRNB2CHRNA4KDM4EMAPTHTT
SCHEMBL3018038 0.83 EGFR (0.41) CHRNB2CHRNA4KDM4EMAPTHTT
SCHEMBL2441523 0.81 CHRNB2 (0.64) CHRNB2CHRNA4AKT1KDM4ECHRNB4
SCHEMBL2441525 0.81 CHRNB2 (0.64) CHRNB2CHRNA4AKT1KDM4ECHRNB4
SCHEMBL6453851 0.78 CHRNB2 (0.38) CHRNB2CHRNA4AKT1KDM4EPOLB
SCHEMBL6453858 0.78 CHRNB2 (0.38) CHRNB2CHRNA4AKT1KDM4EPOLB
SCHEMBL3017873 0.78 CHRNB2 (0.53) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL3017868 0.78 CHRNB2 (0.53) CHRNB2CHRNA4AKT1CHRNB4CHRNA3
SCHEMBL7293349 0.78 ALDH1A1 (0.40) CHRNB2CHRNA4AKT1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288420-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2012-10-16 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-7790757-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2010-09-07 US disclosed
US-20100222395-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-09-02 US disclosed
US-20100204481-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-08-12 US disclosed
US-20100160390-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-06-24 US disclosed
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2010-05-13 US disclosed
US-20080214628-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM SCOTT 2008-09-04 US disclosed
US-20080139809-A1 Compounds Capable of Activating Cholinergic Receptors CALDWELL WILLIAM SCOTT 2008-06-12 US disclosed
US-7307092-B2 Compounds Capable of Activating Cholinergic Receptors TARGACEPT, INC. (US) 2007-12-11 US disclosed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 EP disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders TARGACEPT, INC. 2003-07-03 US 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
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
US-20020052497-A1 Compounds capable of activating cholinergic receptors TARGACEPT, INC. 2002-05-02 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
US-6232316-B1 SUCH AS PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND SENILE DEMENTIA OF ALZHEIMERS DISEASE TARGACEPT, INC. 2001-05-15 US 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 (9 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 1/4885AKT1 2634/4885
US-20100222395-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885AKT1 2634/4885
US-20100204481-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885AKT1 2634/4885
US-20030125345-A1 Nicotinic compounds; treating central nervous system disorders SLC6A2, CHRNA6, CHRNA10 CHRNB2 9/4885CHRNA4 7/4885AKT1 2394/4885
US-20080139809-A1 Compounds Capable of Activating Cholinergic Receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885AKT1 2634/4885
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 145/4885AKT1 3878/4885
US-20080214628-A1 Compounds Capable of Activating Cholinergic Receptors CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885AKT1 2634/4885
US-20100121061-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRM3, CHRM5, CHRM4 CHRNB2 14/4885CHRNA4 9/4885AKT1 1789/4885
US-20100160390-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885AKT1 2634/4885

“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.