SCHEMBL6880947

SCHEMBL6880947

C[C@H]1[C@H](NC(=O)c2ccc(Oc3cc(N4CCOCC4)ccn3)cc2)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
FGFR1 P11362 1/20 0.39
MAPK14 Q16539 2/20 0.39
SMO Q99835 1/20 0.39
LCK P06239 1/20 0.39
JAK3 P52333 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 3/20 0.39
HDAC1 Q13547 1/20 0.38
MET P08581 2/20 0.38
LRRK2 Q5S007 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 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
SCHEMBL6882202 0.87 HSD11B1 (0.41) CHRNB2CHRNA7CHRNA4LCKJAK3
SCHEMBL7599080 0.85 MAPK13 (0.54) MAPK13CHRNB2CHRNA7CHRNA4FGFR1
SCHEMBL6882082 0.84 CHRNB2 (0.44) CHRNB2CHRNA7CHRNA4SMN1; SMN2NPC1
SCHEMBL6872745 0.84 RIPK2 (0.44) MAPK13CHRNB2CHRNA7CHRNA4LCK
SCHEMBL6874217 0.83 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4RAB9A
SCHEMBL6882503 0.83 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4
SCHEMBL6880900 0.83 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4
SCHEMBL6875111 0.83 SMN1; SMN2 (0.39) MAPK13CHRNB2CHRNA7CHRNA4SMN1; SMN2
SCHEMBL6875112 0.82 SMN1; SMN2 (0.39) MAPK13CHRNB2CHRNA7CHRNA4SMN1; SMN2
SCHEMBL6879559 0.82 CHRNA7 (0.41) CHRNA7HDAC1USP30MAPTATM

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-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
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-2002016356-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 MAPK13 3814/4885CHRNB2 595/4885CHRNA7 365/4885
US-20020040035-A1 Quinuclidine-substituted aryl compounds for treatment of disease UGT1A1, NAT1, SLC10A1 MAPK13 3814/4885CHRNB2 595/4885CHRNA7 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 MAPK13 3267/4885CHRNB2 14/4885CHRNA7 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.