SCHEMBL12601263

SCHEMBL12601263

CN(c1cncnc1)c1cc(Cl)cc(C(=O)Nc2ccc(C#N)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.62
SIRT2 Q8IXJ6 2/20 0.55
TMPRSS4 Q9NRS4 1/20 0.51
CYP3A4 P08684 2/20 0.49
F10 P00742 1/20 0.47

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
SCHEMBL6918108 0.88 GRM5 (0.67) GRM5CYP3A4
SCHEMBL12601262 0.88 GRM5 (0.56) GRM5SIRT2CYP3A4
SCHEMBL6918383 0.85 GRM5 (0.64) GRM5CYP3A4
SCHEMBL6918518 0.83 GRM5 (0.63) GRM5CYP3A4F10
SCHEMBL6918332 0.81 GRM5 (0.66) GRM5
SCHEMBL6918190 0.79 GRM5 (0.64) GRM5
SCHEMBL6918401 0.79 GRM5 (0.61) GRM5CYP3A4F10
SCHEMBL12412786 0.77 GRM5 (0.78) GRM5SIRT2
SCHEMBL6918184 0.76 GRM5 (1.00) GRM5CYP3A4
SCHEMBL6918313 0.75 GRM5 (0.60) GRM5SIRT2CYP3A4F10

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 2 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

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 1/4885SIRT2 1848/4885TMPRSS4 2581/4885

“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.