SCHEMBL4079600

SCHEMBL4079600

Cn1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.53
NPSR1 Q6W5P4 1/20 0.48
DHODH Q02127 2/20 0.47
CYP19A1 P11511 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 2/20 0.43
GCGR P47871 1/20 0.43

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
SCHEMBL4077619 0.92 CNR1 (0.53) CNR1NPSR1USP2ALDH1A1LMNA
SCHEMBL4076271 0.89 CNR1 (0.51) CNR1DHODHCYP19A1ALDH1A1LMNA
SCHEMBL4076184 0.80 DGAT1 (0.46) CNR1NPSR1DHODHCYP19A1CYP1A2
SCHEMBL4085388 0.78 CNR1 (0.67) CNR1
SCHEMBL7042641 0.75 DRD2 (0.53) CNR1NPSR1CYP19A1ALDH1A1
SCHEMBL4075806 0.74 CNR1 (0.57) CNR1CYP19A1ALDH1A1CYP1A2
SCHEMBL4080087 0.73 CNR1 (0.59) CNR1HSD17B10
SCHEMBL4085521 0.73 CNR1 (0.61) CNR1HSD17B10
SCHEMBL20154164 0.72 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2A
SCHEMBL7041230 0.72 NPSR1 (0.44) CNR1NPSR1CYP19A1USP2ALDH1A1

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 1/4885NPSR1 64/4885DHODH 4808/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885NPSR1 64/4885DHODH 4808/4885

“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.