SCHEMBL292500

SCHEMBL292500

Cc1cc2c(cc1C(=O)c1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.83
RXRB P28702 8/20 0.83
RXRG P48443 8/20 0.83
RARB P10826 5/20 0.83
RARG P13631 5/20 0.83
RARA P10276 4/20 0.83
MEN1 O00255 1/20 0.61
CYP26A1 O43174 1/20 0.61
ABCB11 O95342 1/20 0.61
ESR1 P03372 1/20 0.61
PGR P06401 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRM1 P35372 1/20 0.61

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
SCHEMBL12181011 0.94 RXRA (0.88) RXRARXRBRXRGRARBRARG
SCHEMBL30054740 0.91 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL726140 0.91 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL5540253 0.89 RXRA (0.80) RXRARXRBRXRGRARBRARG
SCHEMBL6906197 0.88 RXRA (0.79) RXRARXRBRXRGRARBRARG
SCHEMBL4910483 0.86 RXRA (0.76) RXRARXRBRXRGRARBRARG
SCHEMBL4009257 0.86 RXRA (0.76) RXRARXRBRXRGRARBRARG
SCHEMBL2591205 0.85 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL12181009 0.85 RXRA (0.79) RXRARXRBRXRGRARBRARG
SCHEMBL6901726 0.85 RXRA (0.69) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-20140142145-A1 COMBINATIONS COMPRISING A DIPEPTIDYLPEPTIDASE - IV INHIBITOR BALKAN BORK (US) 2014-05-22 US disclosed
EP-2427209-A1 ANTI-IL1- ANTIBODY COMBINATION THERAPY Novartis AG (CH) 2012-03-14 EP disclosed
WO-2010128092-A1 ANTI-IL1-β ANTIBODY COMBINATION THERAPY NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-1296974-B1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-08-05 EP disclosed
US-20080076811-A1 COMBINATIONS COMPRISING DEPEPTIDYPEPTIDASE-IV INHIBITORS AND ANTIDIABETIC AGENTS BALKAN BORK 2008-03-27 US disclosed
EP-1743655-A1 Combinations comprising dipeptidylpeptidase-IV inhibitors and antidiabetic agents Novartis AG (CH) 2007-01-17 EP disclosed
EP-1741445-A2 Combinations comprising dipeptidylpeptidase-IV inhibitors and antidiabetic agents Novartis AG (CH) 2007-01-10 EP disclosed
EP-1741447-A2 Combinations comprising dipeptidylpeptidase-IV inhibitors and antidiabetic agents Novartis AG (CH) 2007-01-10 EP disclosed
EP-1741446-A2 Combinations comprising dipeptidylpeptidase-IV inhibitors and antidiabetic agents Novartis AG (CH) 2007-01-10 EP disclosed
WO-2003080070-A2 COMBINATION COMPRISING AN HMG-COA REDUCTASE INHIBITTOR AND AN INSULIN SECRETOR ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2003-10-02 WO disclosed
WO-2003076393-A1 SALTS OF NATEGLINIDE NOVARTIS AG (CH) 2003-09-18 WO disclosed
US-20030114469-A1 Combinations COHEN DAVID SAUL (US) 2003-06-19 US disclosed
WO-2003028730-A2 PHARMACEUTICAL COMBINATIONS OF PDE-V INHIBITORS AND OTHER AGENTS NOVARTIS AG (CH) 2003-04-10 WO disclosed
EP-1296974-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2003-04-02 EP disclosed
US-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV VILLHAUER EDWIN BERNARD (US) 2002-12-19 US disclosed
EP-1248604-A2 COMBINATIONS COMPRISING DIPEPTIDYLPEPTIDASE-IV INHIBITORS AND ANTIDIABETIC AGENTS Novartis AG (CH) 2002-10-16 EP disclosed
WO-2002072146-A2 COMBINATION OF NATEGLINIDE OR REPAGLINIDE WITH AT LEAST ONE FURTHER ANTIDIABETIC COMPOUND NOVARTIS AG (CH) 2002-09-19 WO disclosed
WO-2001096295-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-12-20 WO disclosed
WO-2001052825-A2 COMBINATIONS COMPRISING DIPEPTIDYLPEPTIDASE-IV INHIBITORS AND ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2001-07-26 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-20030114469-A1 Combinations GPR119, SLC5A1, HMGCR RXRA 1689/4885RXRB 1586/4885RXRG 1233/4885
US-20080076811-A1 COMBINATIONS COMPRISING DEPEPTIDYPEPTIDASE-IV INHIBITORS AND ANTIDIABETIC AGENTS G6PC1, GCK, PDK4 RXRA 1914/4885RXRB 1900/4885RXRG 1413/4885
US-20140142145-A1 COMBINATIONS COMPRISING A DIPEPTIDYLPEPTIDASE - IV INHIBITOR DPP4, DPP7, DPP3 RXRA 2323/4885RXRB 2413/4885RXRG 2114/4885
US-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV DPP4, DPP9, DPP7 RXRA 3641/4885RXRB 3595/4885RXRG 3143/4885

“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.