SCHEMBL373736

SCHEMBL373736

O=C(N[C@H]1CN2CCC1CC2)c1ccc(Sc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 1.00
HTR3E A5X5Y0 5/20 0.66
HTR3B O95264 5/20 0.66
HTR3A P46098 5/20 0.66
HTR3D Q70Z44 5/20 0.66
HTR3C Q8WXA8 5/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66

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
SCHEMBL834016 1.00 CHRNA7 (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6305165 0.94 CHRNA7 (0.88) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881216 0.90 CHRNA7 (0.81) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6873009 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7607972 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881399 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL372855 0.89 CHRNA7 (0.85) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6882647 0.89 CHRNA7 (0.80) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881253 0.88 CHRNA7 (0.79) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3225472 0.88 CHRNA7 (0.78) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592228-B2 Treatment of inflammation using alpha 7 receptor-binding agonists THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2017-03-14 US claimed
EP-1581223-B2 INHIBITION OF INFLAMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS THE FEINSTEIN INST MEDICAL RES (US) 2016-05-25 EP claimed
US-20150359785-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING AGONISTS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2015-12-17 US claimed
US-20130197028-A1 nAChRalpha7 Agonists and nAChRalpha7 Antagonists for Treating Ulcerative Colitis (UC) and Crohn's Disease (CD) OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-08-01 US claimed
WO-2011163539-A2 nAChRα7 AGONISTS AND nAChRα7 ANTAGONISTS FOR TREATING ULCERATIVE COLITIS (UC) AND CROHN'S DISEASE (CD) THE JOHNS HOPKINS UNIVERSITY (US) 2011-12-29 WO claimed
US-20110166148-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2011-07-07 US claimed
EP-1581223-B1 INHIBITION OF INFLAMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS THE FEINSTEIN INST MEDICAL RES (US) 2007-11-14 EP claimed
US-7273872-B2 alpha 7 receptor is the alpha -bungarotoxin sensitive receptor that influences the release of proinflammatory cytokines from macrophages THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2007-09-25 US claimed
US-7238715-B2 Treatment of pancreatitis using alpha 7 receptor-binding cholinergic agonists THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2007-07-03 US claimed
US-20060160835-A1 Methods and compositions for treatment of central nervous system disorders BENCHERIF MEROUANE 2006-07-20 US claimed
EP-1381603-A2 QUINUCLIDINE-SUBSTITUEDARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2004-01-21 EP claimed
US-6492386-B2 TREATING A DISEASE OR CONDITION IN A MAMMAL, WHEREIN THE ALPHA 7 NICOTINIC-ACETYLCHOLINE RECEPTOR IS IMPLICATED PHARMACIA & UPJOHN COMPANY 2002-12-10 US claimed
US-6486172-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF BENZAMIDE OR BENZOCARBONYLSULFIDE SUBSTITUTED 1-AZABICYCLO(2,2,2)OCT-3-YL COMPOUNDS TO TREAT THE CONDITIONS ASSOCIATED WITH DEFECTS OF NICOTINIC SUBTYPES BRAIN RECEPTORS PHARMACIA & UPJOHN COMPANY 2002-11-26 US claimed
US-6479510-B2 N-((2S,3R)-2-METHYL-1-AZABICYCLO(2.2.2)OCT-3-YL)-4-(4-HYDROXYP HENOXY)- BENZAMIDE FOR EXAMPLE; TREATING DISEASES OF THE ALPHA-7-NICOTINIC ACETYLCHOLINE RECEPTOR I.E. SCHIZOPHRENIA, OR PSYCHOSIS PHARMACIA & UPJOHN COMPANY 2002-11-12 US claimed
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated PHARMACIA & UPJOHN COMPANY 2002-05-02 US claimed
US-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-25 US claimed
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 US claimed
WO-2002016356-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002016358-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed

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-20060160835-A1 Methods and compositions for treatment of central nervous system disorders JAK2, ERBB2, ERBB3 CHRNA7 46/4885HTR3E 349/4885HTR3B 139/4885
US-20110166148-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING CHOLINERGIC AGONISTS CHRNA7, CHRNA5, CHRNA4 CHRNA7 1/4885HTR3E 1861/4885HTR3B 571/4885
US-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 CHRNA7 365/4885HTR3E 1415/4885HTR3B 628/4885
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 CHRNA7 365/4885HTR3E 1415/4885HTR3B 628/4885
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 CHRNA7 1/4885HTR3E 2024/4885HTR3B 942/4885
US-20150359785-A1 TREATMENT OF INFLAMMATION USING ALPHA 7 RECEPTOR-BINDING AGONISTS CHRNA7, CHRNG, CHRNA1 CHRNA7 1/4885HTR3E 1076/4885HTR3B 467/4885

“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.