SCHEMBL2264892

SCHEMBL2264892

COc1ccc(COc2ccc(C3=NC(Cc4ccc(Br)cc4)C(=O)N(C)c4ccc(Cl)cc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.43
LMNA P02545 2/20 0.43
PDE3A Q14432 1/20 0.43
ROCK2 O75116 5/20 0.41
BRD4 O60885 9/20 0.41
PDE4D Q08499 2/20 0.40
HTR2B P41595 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ROCK1 Q13464 1/20 0.38
GAA P10253 1/20 0.38
TSPO P30536 1/20 0.38

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
SCHEMBL2266290 0.92 OPRK1 (0.43) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL2266062 0.90 OPRK1 (0.46) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL2263967 0.89 LMNA (0.42) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL2264478 0.86 OPRK1 (0.52) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL8986038 0.85 OPRK1 (0.48) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL607264 0.85 OPRK1 (0.48) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL607671 0.85 OPRK1 (0.47) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL607303 0.83 LMNA (0.48) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL607649 0.83 LMNA (0.48) OPRK1LMNAPDE3AROCK2BRD4
SCHEMBL6125005 0.82 OPRK1 (0.51) OPRK1LMNAPDE3AROCK2BRD4

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 20 patents. 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 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-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-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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-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 (3 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 OPRK1 313/4885LMNA 2006/4885PDE3A 875/4885
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 OPRK1 313/4885LMNA 2006/4885PDE3A 875/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 OPRK1 313/4885LMNA 2006/4885PDE3A 875/4885

“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.