SCHEMBL12412698

SCHEMBL12412698

N#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.66
CYP3A4 P08684 3/20 0.58

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
SCHEMBL12412218 0.90 CYP3A4 (0.56) GRM5CYP3A4
SCHEMBL12412690 0.88 GRM5 (0.71) GRM5
SCHEMBL12412460 0.88 GRM5 (0.77) GRM5CYP3A4
SCHEMBL12412696 0.88 GRM5 (0.67) GRM5CYP3A4
SCHEMBL12412656 0.86 GRM5 (0.78) GRM5
SCHEMBL12830508 0.85 CYP3A4 (0.58) GRM5CYP3A4
SCHEMBL12412215 0.85 CYP3A4 (0.62) GRM5CYP3A4
SCHEMBL1486124 0.84 GRM5 (0.77) GRM5
SCHEMBL12412684 0.84 GRM5 (0.71) GRM5CYP3A4
SCHEMBL1486159 0.82 GRM5 (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-8501757-B2 Substituted phenylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same VANDERBILT UNIVERSITY (US) 2013-08-06 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 US disclosed
US-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2011-07-07 US disclosed
WO-2011035214-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (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-20110166158-A1 SUBSTITUTED PHENYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 GRM5 1/4885CYP3A4 3212/4885

“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.