SCHEMBL4085731

SCHEMBL4085731

CCCCCCn1c(C(=O)O)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.60
FAAH O00519 6/20 0.44
ENPP2 Q13822 1/20 0.44
SMPD1 P17405 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
SCHEMBL7044541 0.79 CNR1 (0.51) CNR1FAAHENPP2SMPD1
SCHEMBL4085388 0.77 CNR1 (0.67) CNR1
SCHEMBL27232986 0.72 FAAH (0.47) CNR1FAAH
SCHEMBL27215736 0.71 GAA (0.49) CNR1FAAHENPP2
SCHEMBL27165995 0.71 GAA (0.60) CNR1ENPP2
SCHEMBL27126606 0.71 GABRP (0.46) CNR1FAAH
SCHEMBL27257935 0.71 BCHE (0.44) CNR1FAAHENPP2
SCHEMBL31279524 0.71 BCHE (0.44) CNR1FAAHENPP2
SCHEMBL8797370 0.71 SIRT2 (0.55) FAAH
SCHEMBL27126593 0.70 RXFP1 (0.45) CNR1FAAH

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
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 1/4885FAAH 37/4885ENPP2 1384/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885FAAH 37/4885ENPP2 1384/4885

“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.