SCHEMBL3024293

SCHEMBL3024293

CCC(N)C/C=C\c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNA4 P43681 2/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
HTR2A P28223 3/20 0.44
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
SCHEMBL3024295 1.00 CHRNB2 (0.60) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL5199052 1.00 CHRNB2 (0.60) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL7521245 0.88 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL6255426 0.88 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL6255421 0.88 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3023965 0.85 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3023967 0.85 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL7524584 0.85 CHRNB2 (0.56) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL7524582 0.85 CHRNB2 (0.56) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3020951 0.84 CHRNB2 (0.68) 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171127-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT INC (US) 2005-09-14 EP claimed
US-6489349-B1 TREATING AN AUTOIMMUNE DISORDER WITH AN ALKYLAMINE SUBSTITUTED PYRIDINE TARGACEPT, INC. 2002-12-03 US claimed
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US claimed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP claimed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US claimed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO claimed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP claimed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO claimed
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
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO 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
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP disclosed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO disclosed
US-5616716-A (3-(5-ethoxypyridin)yl)-alkenyl 1 amine compounds TARGACEPT, INC. 1997-04-01 US 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 (4 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-20100222395-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885MEN1 2465/4885
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT CHRNB2 17/4885CHRNA4 8/4885MEN1 1886/4885
US-20100204481-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885MEN1 2465/4885
US-20100160390-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885MEN1 2465/4885

“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.