SCHEMBL6918403

SCHEMBL6918403

CN(c1cncnc1)c1cc(F)cc(C(=O)Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.55
PTGS1 P23219 2/20 0.51
DEGS1 O15121 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
F10 P00742 1/20 0.44
GAA P10253 1/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL6918518 0.89 GRM5 (0.63) GRM5PTGS1DEGS1F10
SCHEMBL6918313 0.88 GRM5 (0.60) GRM5F10
SCHEMBL6918317 0.87 GRM5 (0.66) GRM5
SCHEMBL6919479 0.85 GRM5 (0.59) GRM5PTGS1
SCHEMBL6918401 0.85 GRM5 (0.61) GRM5F10
SCHEMBL12601262 0.84 GRM5 (0.56) GRM5
SCHEMBL6919980 0.79 GRM5 (0.76) GRM5
SCHEMBL6918192 0.79 GRM5 (0.59) GRM5
SCHEMBL6918127 0.78 GRM5 (0.65) GRM5
SCHEMBL6918108 0.75 GRM5 (0.67) 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 1/4885PTGS1 2039/4885DEGS1 1342/4885

“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.