SCHEMBL5113263

SCHEMBL5113263

COC(=O)C(C)(Cc1ccc(OCCN2CCOc3ccccc32)cc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.45
PPARG P37231 10/20 0.45
TSHR P16473 4/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PPARD Q03181 4/20 0.41
GRM5 P41594 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL5100830 0.92 PPARA (0.53) PPARAPPARGCYSLTR2CYSLTR1PPARD
SCHEMBL5101243 0.89 MAPT (0.46) PPARAPPARGTSHRCYSLTR2CYSLTR1
SCHEMBL5100738 0.84 MAPT (0.45) PPARAPPARGTSHRCYSLTR2CYSLTR1
SCHEMBL5100255 0.82 MAPT (0.51) PPARAPPARGLMNAMAPTRXFP1
SCHEMBL5113340 0.80 PPARG (0.49) PPARAPPARGTSHRCYSLTR2CYSLTR1
SCHEMBL5103845 0.77 MAPT (0.41) PPARAPPARGTSHRCYSLTR2CYSLTR1
SCHEMBL5104081 0.76 PPARG (0.55) PPARAPPARG
SCHEMBL5112766 0.75 PPARG (0.49) PPARAPPARGTSHRCYSLTR2CYSLTR1
SCHEMBL5104269 0.75 PPARG (0.45) PPARAPPARGTSHRLMNAMAPT
SCHEMBL5443755 0.75 TSHR (0.48) PPARAPPARGTSHRCYSLTR2CYSLTR1

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
US-6809095-B2 NOVEL ANTITOBESITY AND HYPOCHOLESTEROLEMIC COMPOUNDS LOWER TOTAL CHOLESTEROL; INCREASE HIGH DENSITY LIPOPROTEIN (HDL) AND DECREASE LOW DENSTIY LIPOPROTEIN DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-26 US claimed
JP-2002543194-A 2002-12-17 JP claimed
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY- CHEMINOR, INC. 2002-06-27 US claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP claimed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US claimed
US-6265401-B1 ANTIDIABETIC AGENTS REDDY-CHEMINOR, INC. 2001-07-24 US claimed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP claimed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO claimed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
US-6846824-B2 Bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2005-01-25 US disclosed
US-6809095-B2 NOVEL ANTITOBESITY AND HYPOCHOLESTEROLEMIC COMPOUNDS LOWER TOTAL CHOLESTEROL; INCREASE HIGH DENSITY LIPOPROTEIN (HDL) AND DECREASE LOW DENSTIY LIPOPROTEIN DR. REDDY'S LABORATORIES LTD. (IN) 2004-10-26 US disclosed
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY- CHEMINOR, INC. 2002-06-27 US disclosed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US disclosed
US-6265401-B1 ANTIDIABETIC AGENTS REDDY-CHEMINOR, INC. 2001-07-24 US disclosed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 PPARA 232/4885PPARG 158/4885TSHR 2573/4885
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them SLC5A1, CYP11B1, CYP4A11 PPARA 884/4885PPARG 618/4885TSHR 4011/4885

“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.