SCHEMBL6918286

SCHEMBL6918286

CN(c1cncnc1)c1cc(C(=O)Nc2ccc(F)cn2)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.67
CYP3A4 P08684 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
F10 P00742 2/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL6918772 0.83 GRM5 (0.70) GRM5
SCHEMBL6918313 0.82 GRM5 (0.60) GRM5CYP3A4SIRT2F10KDM4E
SCHEMBL1984894 0.81 GRM5 (0.80) GRM5CYP3A4
SCHEMBL6918776 0.80 GRM5 (1.00) GRM5CYP3A4
SCHEMBL12602079 0.80 GRM5 (0.63) GRM5
SCHEMBL12412834 0.79 GRM5 (0.52) GRM5
SCHEMBL1487640 0.77 GRM5 (0.58) GRM5KDM4E
SCHEMBL6928735 0.77 GRM5 (0.66) GRM5CYP3A4CYP1A2CYP2C9KCNH2
SCHEMBL1487639 0.77 GRM5 (0.61) GRM5CYP3A4CYP1A2CYP2C9
SCHEMBL12412836 0.76 GRM5 (0.61) GRM5KDM4E

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 3527/4885SIRT2 1848/4885

“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.