SCHEMBL4084936

SCHEMBL4084936

Cn1c(C(=O)Nc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.64
POLB P06746 1/20 0.47
FABP4 P15090 1/20 0.47
FAAH O00519 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
KLK5 Q9Y337 1/20 0.46

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
SCHEMBL4075638 0.92 CNR1 (0.62) CNR1
SCHEMBL4080155 0.82 CNR1 (0.65) CNR1FABP4ALDH1A1
SCHEMBL7110115 0.79 CNR1 (0.62) CNR1POLBFABP4ALDH1A1
SCHEMBL1319993 0.79 CNR1 (1.00) CNR1
SCHEMBL1315685 0.78 CNR1 (1.00) CNR1
SCHEMBL4080438 0.77 CNR1 (1.00) CNR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL4075861 0.76 CNR1 (0.79) CNR1POLBALDH1A1LMNA
SCHEMBL4078116 0.76 CNR1 (0.79) CNR1FAAHALDH1A1
SCHEMBL4085408 0.73 CNR1 (0.57) CNR1ALDH1A1MEN1LMNAKMT2A
SCHEMBL4079877 0.72 CNR1 (0.67) CNR1POLB

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-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
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 1/4885POLB 3283/4885FABP4 1352/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885POLB 3283/4885FABP4 1352/4885

“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.