SCHEMBL7601445

SCHEMBL7601445

C[C@H]1[C@H](NC(=O)c2ccc(Oc3cc(N4CCOCC4)cs3)cc2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.38
USP30 Q70CQ3 1/20 0.38
MAPT P10636 5/20 0.38
PKM P14618 2/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
LRRK2 Q5S007 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL6881034 0.85 CHRNA7 (0.40) NPC1RAB9AGAACHRNB2CHRNA7
SCHEMBL6884749 0.85 CHRNA7 (0.41) MEN1KMT2ALMNAPOLBCHRNB2
SCHEMBL6882128 0.84 CHRNB2 (0.40) USP30MAPK1MEN1KMT2ACHRNB2
SCHEMBL7043516 0.84 CHRNB2 (0.38) USP30MAPTPKMATMNPC1
SCHEMBL6881202 0.83 CHRNB2 (0.46) PKMMEN1KMT2APOLBCHRNB2
SCHEMBL6883033 0.83 USP30 (0.39) MAPK14USP30MAPTPKMATM
SCHEMBL6872745 0.83 RIPK2 (0.44) USP30MAPTPKMATMNPC1
SCHEMBL6872641 0.83 USP30 (0.39) USP30MAPTPKMATMNPC1
SCHEMBL6883341 0.83 CHRNB2 (0.38) USP30NPC1RAB9ACHRNB2CHRNA7
SCHEMBL6881203 0.82 CHRNA7 (0.49) ATMMEN1KMT2ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPK14 4314/4885USP30 3907/4885MAPT 1224/4885
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 MAPK14 4314/4885USP30 3907/4885MAPT 1224/4885
US-20020052389-A1 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic-acetylcholine receptor is implicated CHRNA7, CHRNA1, CHRNB1 MAPK14 3612/4885USP30 3063/4885MAPT 2722/4885

“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.