SCHEMBL4516629

SCHEMBL4516629

COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
GAA P10253 4/20 0.55
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 2/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
LNPEP Q9UIQ6 5/20 0.52
ERAP2 Q6P179 4/20 0.52
ALOX15 P16050 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
USP2 O75604 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
SCHEMBL29446496 0.93 ALOX15 (0.58) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL17336829 0.93 ALOX15 (0.58) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL14876842 0.87 GAA (0.54) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL28628874 0.87 ALOX15 (0.46) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL16318447 0.87 KDM4E (0.52) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL753526 0.87 PTGER4 (0.57) GAALNPEPERAP2ALOX15SMN1; SMN2
SCHEMBL16755430 0.84 GAA (0.52) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL11959276 0.84 LCK (0.49) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL3677780 0.84 XDH (0.54) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL4857497 0.83 KDM4E (0.46) MAPTGAAMAPK1KDM4EALDH1A1

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 16 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 disclosed
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-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-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
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
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
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 disclosed
WO-2013033246-A2 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF BRAINCELLS, INC. (US) 2013-03-07 WO disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
US-6534535-B1 Administering indole derivative as anticoagulant MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
WO-2001012600-A9 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC (US) 2002-09-12 WO disclosed
WO-2001012600-A1 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-02-22 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 (2 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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 MAPT 3880/4885GAA 3437/4885MAPK1 1077/4885
US-20150025064-A1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF GRM1, GRM3, GRM2 MAPT 1748/4885GAA 4071/4885MAPK1 2624/4885

“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.