SCHEMBL4080087

SCHEMBL4080087

CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.59
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
MAPT P10636 2/20 0.49
OPRL1 P41146 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48

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
SCHEMBL4085247 0.92 CNR1 (0.57) CNR1GABRA2GABRB2MAPTNPC1
SCHEMBL4085521 0.91 CNR1 (0.61) CNR1GABRA2GABRB2MAPTOPRL1
SCHEMBL4080145 0.88 CNR1 (0.52) CNR1GABRA2GABRB2MAPTNPC1
SCHEMBL4427351 0.83 CNR1 (0.66) CNR1OPRL1
SCHEMBL7045699 0.81 CNR1 (0.62) CNR1GABRA2GABRB2MAPTOPRL1
SCHEMBL6552035 0.78 CNR1 (0.56) CNR1OPRL1DPP4
SCHEMBL4080188 0.78 CNR1 (0.77) CNR1OPRL1
SCHEMBL5451404 0.77 AKT1 (0.54) CNR1GABRA2GABRB2MAPTNPC1
SCHEMBL4075789 0.77 CNR1 (0.79) CNR1
SCHEMBL4075806 0.77 CNR1 (0.57) CNR1GABRA2GABRB2MAPTNPC1

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 4 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

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.