SCHEMBL6100183

SCHEMBL6100183

Nc1cccc2cc(C(=O)NC3CC4CC3CN4)ccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ATIC P31939 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3A P46098 1/20 0.35
CHRNA7 P36544 3/20 0.35
PTPN1 P18031 1/20 0.35
SSTR3 P32745 1/20 0.34
SMYD3 Q9H7B4 3/20 0.34

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
SCHEMBL6099232 0.86 SSTR3 (0.41) HTR3ASSTR3
SCHEMBL6100401 0.84 KDM2B (0.43) HSD17B10CHRNA7
SCHEMBL6099300 0.84 EPHX2 (0.36) HTR3ACHRNA7PTPN1SSTR3
SCHEMBL6101408 0.84 HTR3A (0.34) HTR3ACHRNA7PTPN1SSTR3SMYD3
SCHEMBL6101484 0.83 SSTR3 (0.47) SSTR3
SCHEMBL6100816 0.81 CYP2C9 (0.37) CYP2C9ATICCYP2C19HSD17B10HTR3A
SCHEMBL6101324 0.81 CYP2C9 (0.37) CYP2C9ATICCYP2C19HSD17B10HTR3A
SCHEMBL6099712 0.80 SSTR3 (0.41) CHRNA7SSTR3
SCHEMBL6099763 0.78 DEGS1 (0.39) CHRNA7SSTR3
SCHEMBL6098549 0.77 HTR3A (0.60) HTR3ACHRNA7

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
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 CYP2C9 279/4885ATIC 101/4885CYP2C19 214/4885

“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.