SCHEMBL4510979

SCHEMBL4510979

CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 18/20 1.00
GABRB2 P47870 18/20 1.00
PTGS2 P35354 1/20 0.62

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
SCHEMBL29427578 0.93 GABRA2 (1.00) GABRA2GABRB2PTGS2
SCHEMBL9893977 0.84 GABRA2 (0.80) GABRA2GABRB2PTGS2
SCHEMBL1438255 0.83 GABRA2 (0.82) GABRA2GABRB2PTGS2
SCHEMBL9893881 0.82 GABRA2 (0.69) GABRA2GABRB2PTGS2
SCHEMBL4479830 0.79 GABRA2 (0.72) GABRA2GABRB2PTGS2
SCHEMBL1437616 0.79 GABRA2 (0.69) GABRA2GABRB2PTGS2
SCHEMBL4501027 0.78 GABRA2 (0.65) GABRA2GABRB2
SCHEMBL4503440 0.78 GABRA2 (0.64) GABRA2GABRB2
SCHEMBL1437115 0.77 GABRA2 (0.66) GABRA2GABRB2PTGS2
SCHEMBL1438305 0.77 GABRA2 (1.00) GABRA2GABRB2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729101-B2 1H-imidazole derivative having CB1, agonistic, CB1 partial agonistic or CB1 antagnistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2014-05-20 US disclosed
US-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. 2009-07-16 US disclosed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 EP disclosed
US-7109216-B2 1H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-09-19 US disclosed
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-03-10 US disclosed
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-11-25 US disclosed
EP-1438296-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-07-21 EP disclosed
WO-2003027076-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-04-03 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 (3 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-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY CNR1, CNR2, CHRM1 GABRA2 67/4885GABRB2 182/4885PTGS2 1362/4885
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity CNR1, CNR2, CHRM1 GABRA2 75/4885GABRB2 141/4885PTGS2 1189/4885
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity CNR1, CNR2, HRH4 GABRA2 74/4885GABRB2 135/4885PTGS2 987/4885

“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.