SCHEMBL6882503

SCHEMBL6882503

CC(=O)c1ccnc(Oc2ccc(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.43
CHRNA4 P43681 9/20 0.43
CHRNA7 P36544 8/20 0.43
LOX P28300 4/20 0.38
LOXL2 Q9Y4K0 4/20 0.38
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36

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
SCHEMBL6881291 0.90 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7LOXLOXL2
SCHEMBL6882082 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7LOXLOXL2
SCHEMBL6874217 0.88 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7LOXLOXL2
SCHEMBL6880900 0.88 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7LOXLOXL2
SCHEMBL6880416 0.86 POLB (0.46) CHRNB2CHRNA4CHRNA7
SCHEMBL6872621 0.86 SCN9A (0.43) CHRNB2CHRNA4CHRNA7
SCHEMBL7638243 0.86 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7LOXLOXL2
SCHEMBL6881115 0.86 P2RX3 (0.43) CHRNB2CHRNA4CHRNA7LOXLOXL2
SCHEMBL6881959 0.85 HPGD (0.46) CHRNB2CHRNA4CHRNA7
SCHEMBL6881001 0.84 MAPK14 (0.43) CHRNB2CHRNA4CHRNA7

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2002016358-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
EP-1381603-A2 QUINUCLIDINE-SUBSTITUEDARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2004-01-21 EP disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
US-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-25 US disclosed
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-04 US disclosed
WO-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016358-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 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 (3 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-20020049225-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 CHRNB2 595/4885CHRNA4 594/4885CHRNA7 365/4885
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 CHRNB2 595/4885CHRNA4 594/4885CHRNA7 365/4885
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 CHRNB2 14/4885CHRNA4 11/4885CHRNA7 1/4885

“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.