SCHEMBL6918401

SCHEMBL6918401

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.61
RAB9A P51151 4/20 0.57
TSHR P16473 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
F10 P00742 2/20 0.51
CYP3A4 P08684 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
BRD4 O60885 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 0.90 GRM5 (0.67) GRM5RAB9ATSHRSMN1; SMN2NPC1
SCHEMBL6918313 0.90 GRM5 (0.60) GRM5F10CYP3A4
SCHEMBL6919479 0.87 GRM5 (0.59) GRM5CYP3A4
SCHEMBL6918127 0.86 GRM5 (0.65) GRM5
SCHEMBL12601262 0.85 GRM5 (0.56) GRM5CYP3A4
SCHEMBL6918403 0.85 GRM5 (0.55) GRM5F10
SCHEMBL6918192 0.81 GRM5 (0.59) GRM5RAB9ANPC1MEN1KMT2A
SCHEMBL6918383 0.81 GRM5 (0.64) GRM5ALDH1A1CYP3A4
SCHEMBL6918291 0.81 GRM5 (0.60) GRM5
SCHEMBL6918518 0.81 GRM5 (0.63) GRM5F10CYP3A4

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 1/4885RAB9A 1518/4885TSHR 678/4885

“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.