SCHEMBL4079971

SCHEMBL4079971

CC(C)(C)NC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.59
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GCGR P47871 5/20 0.44
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
MAPK14 Q16539 5/20 0.43
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
BRAF P15056 1/20 0.41
RAF1 P04049 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL5268736 0.78 CNR1 (0.58) CNR1KDM4EHPGDGCGRPTGS1
SCHEMBL7046157 0.77 CNR1 (0.49) CNR1GCGRPTGS1PTGS2MAPK13
SCHEMBL7041750 0.77 CNR1 (0.44) CNR1KDM4EALPL
SCHEMBL2028098 0.75 CNR1 (0.56) CNR1KDM4EMAPTSMN1; SMN2GCGR
SCHEMBL4080283 0.75 CNR1 (0.58) CNR1KDM4EHPGDGCGRTP53
SCHEMBL2027320 0.75 CNR1 (0.55) CNR1LMNAMAPTSMN1; SMN2GCGR
SCHEMBL4076039 0.74 CNR1 (1.00) CNR1
SCHEMBL4076020 0.74 CNR1 (1.00) CNR1TP53MDM2
SCHEMBL5234243 0.72 CNR1 (0.55) CNR1KDM4ELMNATP53MDM2
SCHEMBL7044590 0.72 CNR1 (0.49) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KDM4E 1781/4885LMNA 2696/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885KDM4E 1781/4885LMNA 2696/4885

“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.