SCHEMBL2265665

SCHEMBL2265665

CC(C)NC(=O)Nc1ccc(C2=NC(Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.56
CHRM1 P11229 2/20 0.49
TRPV1 Q8NER1 2/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
KMT2A Q03164 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
SCHEMBL11982416 1.00 CCKBR (0.56) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL2263593 0.92 TRPV1 (0.55) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL12390483 0.92 TRPV1 (0.55) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL13061375 0.92 CCKBR (0.54) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL11982458 0.92 CCKBR (0.54) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL12390477 0.92 CCKBR (0.54) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL2268678 0.92 CCKBR (0.54) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL2267811 0.91 CCKBR (0.54) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL11982492 0.90 CCKBR (0.60) CCKBRCHRM1TRPV1MEN1LMNA
SCHEMBL11982417 0.90 CCKBR (0.52) CCKBRCHRM1TRPV1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139331-B1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF UNIV MICHIGAN (US) 2013-02-20 EP claimed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US claimed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US claimed
EP-2139331-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF The Regents of the University of Michigan (US) 2010-01-06 EP claimed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US claimed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO claimed
EP-2139331-B1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF UNIV MICHIGAN (US) 2013-02-20 EP disclosed
EP-2139331-B1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF UNIV MICHIGAN (US) 2013-02-20 EP disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
WO-2008116156-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-25 WO disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 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 (4 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-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CCKBR 416/4885CHRM1 2574/4885TRPV1 364/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 CCKBR 4482/4885CHRM1 4625/4885TRPV1 3140/4885
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CCKBR 416/4885CHRM1 2574/4885TRPV1 364/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CCKBR 416/4885CHRM1 2574/4885TRPV1 364/4885

“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.