SCHEMBL6918502

SCHEMBL6918502

Cc1nc(NC(=O)c2cc(F)cc(N(C)c3cncnc3)c2)sc1F

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.71
▸ CYP3A4 P08684 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL12601821 0.92 GRM5 (0.71) GRM5CYP3A4DRD3SLC6A3MEN1
SCHEMBL1979922 0.83 GRM5 (1.00) GRM5CYP3A4DRD3SLC6A3MEN1
SCHEMBL6918521 0.80 GRM5 (0.70) GRM5CYP3A4DRD3SLC6A3
SCHEMBL6919031 0.80 GRM5 (0.69) GRM5CYP3A4DRD3SLC6A3MEN1
SCHEMBL6918537 0.77 GRM5 (0.62) GRM5CYP3A4DRD3SLC6A3
SCHEMBL6918849 0.77 GRM5 (0.65) GRM5CYP3A4DRD3SLC6A3
SCHEMBL6918588 0.76 GRM5 (0.67) GRM5NPC1RAB9AKMT2A
SCHEMBL6918313 0.75 GRM5 (0.60) GRM5CYP3A4
SCHEMBL6918192 0.74 GRM5 (0.59) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL6918291 0.74 GRM5 (0.60) 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 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 GRM5 1/4885CYP3A4 3527/4885DRD3 412/4885

“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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