SCHEMBL14744671

SCHEMBL14744671

COc1cc2c(cc1Br)NC(=O)CC(c1ccnnc1)=N2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GRM2 Q14416 6/20 0.45
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14744886 0.87 GRM2 (0.47) NPC1ALDH1A1GRM2RAB9ASMN1; SMN2
SCHEMBL14745005 0.85 CYP3A4 (0.48) GRM2RAB9ASMN1; SMN2
SCHEMBL16395166 0.84 GRM2 (0.45) NPC1ALDH1A1GRM2RAB9ASMN1; SMN2
SCHEMBL14744954 0.83 GRM2 (0.51) GRM2RAB9ASMN1; SMN2
SCHEMBL14744843 0.82 NPC1 (0.51) NPC1ALDH1A1GRM2RAB9ASMN1; SMN2
SCHEMBL14745371 0.80 CYP3A4 (0.51) GRM2
SCHEMBL14744801 0.80 CYP3A4 (0.52) GRM2RAB9ASMN1; SMN2
SCHEMBL14744648 0.79 GRM2 (0.64) NPC1ALDH1A1GRM2RAB9ASMN1; SMN2
SCHEMBL14744793 0.79 GRM2 (0.52) ALDH1A1GRM2RAB9ASMN1; SMN2
SCHEMBL23954519 0.77 RAB9A (0.69) NPC1ALDH1A1GRM2RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751095-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF Sanford-Burnham Medical Research Institute (US) 2014-07-09 EP claimed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 WO claimed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 US disclosed
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-22 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-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 NPC1 2787/4885ALDH1A1 2319/4885GRM2 3/4885

“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.