SCHEMBL6918207

SCHEMBL6918207

Cc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
GRM5 P41594 5/20 0.80
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71

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
SCHEMBL6918574 0.89 CYP3A4 (0.80) CYP3A4GRM5CYP1A2CYP2C9
SCHEMBL6918369 0.89 GRM5 (1.00) CYP3A4GRM5
SCHEMBL6918188 0.87 GRM5 (1.00) CYP3A4GRM5
SCHEMBL6919244 0.87 CYP3A4 (0.77) CYP3A4GRM5CYP1A2CYP2C9
SCHEMBL6918115 0.87 GRM5 (1.00) CYP3A4GRM5CYP1A2CYP2C9
SCHEMBL6918613 0.87 CYP3A4 (0.77) CYP3A4GRM5
SCHEMBL6919766 0.85 CYP3A4 (0.74) CYP3A4GRM5CYP1A2CYP2C9
SCHEMBL6919263 0.84 GRM5 (0.76) CYP3A4GRM5
SCHEMBL6918118 0.84 GRM5 (0.76) CYP3A4GRM5
SCHEMBL6918854 0.84 GRM5 (0.76) CYP3A4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796295-B2 Substituted benzamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2014-08-05 US disclosed
US-20110152299-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 US disclosed
WO-2011035209-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSTIY (US) 2011-03-24 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 (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-20110152299-A1 SUBSTITUTED BENZAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRIN2A CYP3A4 3527/4885GRM5 1/4885CYP1A2 3935/4885

“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.