SCHEMBL6100286

SCHEMBL6100286

N#Cc1cccc2cc(C(=O)NC3CC4CNC3C4)ccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
EZH2 Q15910 8/20 0.36
EPHX2 P34913 1/20 0.35
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
KDM2B Q8NHM5 2/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL6099257 0.92 GRM5 (0.36) GRM5EZH2EPHX2PRKCBPRKCA
SCHEMBL6099769 0.90 PTPN1 (0.32) GRM5EZH2PTPN1
SCHEMBL6099086 0.84 SSTR3 (0.38) GRM5PTPN1
SCHEMBL6100816 0.84 CYP2C9 (0.37) GRM5PTPN1
SCHEMBL6099300 0.82 EPHX2 (0.36) GRM5EZH2EPHX2PRKCBPRKCA
SCHEMBL6098272 0.81 GRM5 (0.38) GRM5EZH2EPHX2PRKCBPRKCA
SCHEMBL6099165 0.81 PRKCB (0.32) GRM5EZH2PRKCBPRKCAPRKCE
SCHEMBL6102076 0.81 KDM2B (0.40) GRM5PRKCBPRKCAPRKCEKDM2B
SCHEMBL6099430 0.81 SSTR3 (0.44)
SCHEMBL6096798 0.81 USP30 (0.34) GRM5ARNPC1ALDH1A1LMNA

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 7 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
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 GRM5 1965/4885EZH2 929/4885EPHX2 517/4885

“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.