SCHEMBL6882364

SCHEMBL6882364

C[C@H]1[C@H](NC(=O)c2ccc(Oc3cccc(N)c3)cc2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
NPC1 O15118 1/20 0.42
EZH2 Q15910 2/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 2/20 0.41
HDAC3 O15379 1/20 0.39
BRAF P15056 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL6883507 0.89 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4USP30HDAC3
SCHEMBL6872610 0.89 PARP10 (0.52) CHRNB2CHRNA7CHRNA4NPC1PKM
SCHEMBL6882177 0.88 PGR (0.51) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL373485 0.88 USP30 (0.51) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL6883813 0.88 USP30 (0.51) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL6878991 0.88 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL6882129 0.88 SLC6A5 (0.47) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL6882886 0.88 NPC1 (0.47) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL6881936 0.87 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4NPC1EZH2
SCHEMBL6881539 0.86 MEN1 (0.46) CHRNB2CHRNA7CHRNA4NPC1EZH2

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 16 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-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
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
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-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
WO-2002016356-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO 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 (2 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 595/4885CHRNA7 365/4885CHRNA4 594/4885
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 CHRNB2 14/4885CHRNA7 1/4885CHRNA4 11/4885

“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.