SCHEMBL4080555

SCHEMBL4080555

O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 1.00
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ KCNMA1 Q12791 1/20 0.54
▸ GRM1 Q13255 1/20 0.53

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
SCHEMBL4077057 0.80 GRM5 (0.69) GRM5
SCHEMBL1821580 0.80 GRM5 (1.00) GRM5KCNMA1
SCHEMBL4070164 0.80 GRM5 (1.00) GRM5
SCHEMBL4069253 0.80 GRM5 (1.00) GRM5
SCHEMBL30879625 0.80 GRM5 (1.00) GRM5KCNMA1
SCHEMBL30255585 0.80 GRM5 (1.00) GRM5KCNMA1
SCHEMBL4071774 0.79 GRM5 (0.78) GRM5KCNMA1
SCHEMBL4072518 0.79 GRM5 (0.77) GRM5
SCHEMBL4069645 0.79 GRM5 (0.70) GRM5
SCHEMBL4069006 0.77 GRM5 (0.70) GRM5

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-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 — — US claimed
EP-1611096-A4 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO INC (US) 2007-08-29 — — EP claimed
US-20060235069-A1 Benzamide modulators of metabotropic glutamate receptors MERCK SHARP & DOHME CORP. 2006-10-19 — — US claimed
JP-2006521358-A — — 2006-09-21 — — JP claimed
EP-1611096-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co. Inc. (US) 2006-01-04 — — EP claimed
WO-2004087048-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO. INC. (US) 2004-10-14 — — WO claimed
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 — — US disclosed
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 — — US disclosed
US-7507836-B2 Benzamide modulators of metabotropic glutamate receptors MERCK & CO. INC. (US) 2009-03-24 — — US disclosed
US-20060235069-A1 Benzamide modulators of metabotropic glutamate receptors MERCK SHARP & DOHME CORP. 2006-10-19 — — 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 (1 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-20060235069-A1 Benzamide modulators of metabotropic glutamate receptors GRM5, GRIK5, GRM2 GRM5 1/4885ALDH1A1 2695/4885POLB 4325/4885

“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.

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