SCHEMBL14744731

SCHEMBL14744731

O=C1CC(c2ccnnc2)=Nc2ccc(-c3ccccc3C(=O)O)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
GRM2 Q14416 1/20 0.43

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
SCHEMBL16394950 0.85 RAB9A (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1GRM2
SCHEMBL14744641 0.85 CYP3A4 (0.64) RAB9ASMN1; SMN2CYP3A4ALDH1A1NPC1
SCHEMBL23954487 0.82 RAB9A (0.51) RAB9ASMN1; SMN2CYP3A4ALDH1A1NPC1
SCHEMBL14745013 0.82 RAB9A (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1GRM2
SCHEMBL14745135 0.81 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1GRM2
SCHEMBL14744589 0.80
SCHEMBL14744909 0.78 ALDH1A1 (0.69) RAB9ASMN1; SMN2ALDH1A1NPC1GRM2
SCHEMBL16394953 0.78 RAB9A (0.46) RAB9ASMN1; SMN2ALDH1A1NPC1GRM2
SCHEMBL14744841 0.78 CYP3A4 (0.49) CYP3A4GRM2
SCHEMBL14744765 0.77 GRM2 (0.47) RAB9ASMN1; SMN2GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP claimed
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
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 EP disclosed
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 RAB9A 564/4885SMN1; SMN2 1582/4885CYP3A4 1033/4885

“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.