SCHEMBL6388698

SCHEMBL6388698

Cc1nc2cc(C(=O)NC3CC4CC3CN4)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.52
EPHX2 P34913 2/20 0.47
TAS1R3 Q7RTX0 5/20 0.46
TAS1R1 Q7RTX1 5/20 0.46
CTSC P53634 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6397943 0.92 CHRNA7 (0.52) CHRNA7EPHX2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL6480751 0.83 CHRNA7 (0.51) CHRNA7EPHX2TAS1R3TAS1R1HDAC6
SCHEMBL6489348 0.81 CHRNA7 (0.41) CHRNA7RAB9ANPC1HDAC6
SCHEMBL6388869 0.81 NAMPT (0.47) CHRNA7EPHX2TAS1R3TAS1R1RAB9A
SCHEMBL6480360 0.79 KDM4E (0.42) CHRNA7TAS1R3TAS1R1RAB9ANPC1
SCHEMBL6481508 0.78 CHRNA7 (0.57) CHRNA7TAS1R3TAS1R1
SCHEMBL6489484 0.77 CHRNA7 (0.52) CHRNA7EPHX2RAB9A
SCHEMBL6480686 0.77 POLB (0.39) CHRNA7RAB9ANPC1SMN1; SMN2HDAC6
SCHEMBL6479418 0.77 CYP2A6 (0.38) CHRNA7EPHX2HDAC6
SCHEMBL6395223 0.76 TAS1R3 (0.47) CHRNA7EPHX2TAS1R3TAS1R1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US claimed
US-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US disclosed
EP-1438308-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2004-07-21 EP disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US disclosed
WO-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 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 (1 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-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 CHRNA7 1187/4885EPHX2 201/4885TAS1R3 4249/4885

“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.