SCHEMBL3020951

SCHEMBL3020951

CC(N)CC=Cc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.68
CHRNA4 P43681 2/20 0.68
HTR2A P28223 3/20 0.64
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
ALOX5 P09917 2/20 0.48
TBXAS1 P24557 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
JUN P05412 1/20 0.45

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
SCHEMBL10398580 1.00 CHRNB2 (0.68) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL3020948 1.00 CHRNB2 (0.68) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL9519584 1.00 CHRNB2 (0.68) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL3128193 1.00 CHRNB2 (0.68) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL7514670 0.86 CHRNB2 (0.71) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL9519915 0.86 CHRNB2 (0.71) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL7514662 0.86 CHRNB2 (0.71) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL3024295 0.84 CHRNB2 (0.60) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL3024293 0.84 CHRNB2 (0.60) CHRNB2CHRNA4HTR2AMEN1KMT2A
SCHEMBL3017238 0.84 CHRNB2 (0.59) CHRNB2CHRNA4HTR2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713574-A1 METHOD OF COUNTERING RESPIRATORY DEPRESSION VIA ACTIVATION OF NEURONAL HETEROMERIC NICOTINIC ACETYLCHOLINE RECEPTORS The Governors of the University of Alberta (CA) 2020-09-30 EP claimed
WO-2019100155-A1 METHOD OF COUNTERING RESPIRATORY DEPRESSION VIA ACTIVATION OF NEURONAL HETEROMERIC NICOTINIC ACETYLCHOLINE RECEPTORS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-05-31 WO claimed
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
WO-2020219867-A1 PYRIDONE AMIDE CO-CRYSTAL COMPOSITIONS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-29 WO disclosed
WO-2016034968-A1 THERAPEUTIC ANTIBODY PFIZER INC. (US) 2016-03-10 WO disclosed
EP-2953931-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2015-12-16 EP disclosed
WO-2014120808-A9 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2014120808-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PARMACEUTICALS INCORPORATED (US) 2014-08-07 WO disclosed
US-8288420-B2 Compounds capable of activating cholinergic receptors TARGACEPT, INC. (US) 2012-10-16 US disclosed
EP-1056458-A1 METHOD FOR THE TREATMENT OF PAIN, INCLUDING CHRONIC AND FEMALE SPECIFIC PAIN Wake Forest University (US) 2000-12-06 EP 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-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 (1 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-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT CHRNB2 17/4885CHRNA4 8/4885HTR2A 69/4885

“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.