SCHEMBL4075806

SCHEMBL4075806

CCOC(=O)c1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.57
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
TARBP2 Q15633 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
FAAH O00519 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4076271 0.85 CNR1 (0.51) CNR1GABRA2GABRB2CYP19A1ALDH1A1
SCHEMBL4082543 0.81 CNR1 (0.64) CNR1ALDH1A1KDM4EMAPT
SCHEMBL4085407 0.77 CNR1 (0.66) CNR1NPC1RAB9AKDM4E
SCHEMBL4079877 0.77 CNR1 (0.67) CNR1NPC1RAB9A
SCHEMBL4080087 0.77 CNR1 (0.59) CNR1GABRA2GABRB2NPC1RAB9A
SCHEMBL4085521 0.77 CNR1 (0.61) CNR1GABRA2GABRB2NPC1RAB9A
SCHEMBL4077619 0.76 CNR1 (0.53) CNR1ALDH1A1KDM4EMAPTPKM
SCHEMBL7044993 0.74 CNR1 (0.44) CNR1ALDH1A1KDM4EFAAHMAPT
SCHEMBL4080690 0.74 CNR1 (0.97) CNR1NPC1RAB9AALDH1A1
SCHEMBL4075934 0.74 CNR1 (0.79) CNR1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US claimed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US claimed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 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 (2 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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885GABRA2 30/4885GABRB2 81/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885GABRA2 30/4885GABRB2 81/4885

“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.