SCHEMBL3023967

SCHEMBL3023967

CCCCC(N)CC=Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXAS1 P24557 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTR2A P28223 3/20 0.40
ALOX5 P09917 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3023965 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6255421 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6255426 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7521245 0.92 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3024293 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5199052 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3024295 0.85 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3009681 0.81 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3009684 0.81 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3128193 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 46 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
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
US-6248744-B1 ADMINISTERING AN ANALGESIC DOSAGE OF AN AMINOALKENYL(PYRIDINE OR PYRIMIDINE) DERIVATIVE TO RELIEVE PAIN OF MENSTRUATION, OVULATION, PREGNANCY, CHILDBIRTH, CANCER, BONE DISORDERS, OR INJURIES WAKE FOREST UNIVERSITY 2001-06-19 US 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
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 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
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 1/4885CHRNB4 2/4885
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT CHRNB2 17/4885CHRNA4 8/4885CHRNB4 20/4885
US-20100204481-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885
US-20100160390-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS CHRNA4, CHRNB4, CHRM4 CHRNB2 4/4885CHRNA4 1/4885CHRNB4 2/4885

“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.