SCHEMBL5107428

SCHEMBL5107428

O=Cc1ccc(OCC2CN(Cc3ccccc3)c3ccccc3O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.48
SIRT2 Q8IXJ6 3/20 0.45
PTGIR P43119 4/20 0.43
GRM2 Q14416 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
HTR1A P08908 1/20 0.42
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL14286251 0.85 SIRT1 (0.43) SIRT1SIRT2PTGIRGRM2MAPK1
SCHEMBL6797764 0.82 SIRT1 (0.44) SIRT1SIRT2PTGIRMAPK1L3MBTL1
SCHEMBL6797758 0.82 SIRT1 (0.44) SIRT1SIRT2PTGIRMAPK1L3MBTL1
SCHEMBL6797753 0.82 SIRT1 (0.44) SIRT1SIRT2PTGIRMAPK1L3MBTL1
SCHEMBL2189810 0.81 PTGIR (0.52) PTGIR
SCHEMBL5107348 0.81 PTGIR (0.52) PTGIR
SCHEMBL14265716 0.81 NR1H4 (0.45) SIRT1SIRT2PTGIRMAPK1L3MBTL1
SCHEMBL6317472 0.80 SIRT1 (0.44) SIRT1SIRT2PTGIR
SCHEMBL6317477 0.80 SIRT1 (0.44) SIRT1SIRT2PTGIR
SCHEMBL27576346 0.79 SIRT1 (0.49) SIRT1SIRT2PTGIRGRM2MAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SIRT1 1347/4885SIRT2 3010/4885PTGIR 665/4885
US-20020082258-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them SLC5A1, CYP11B1, CYP4A11 SIRT1 828/4885SIRT2 2190/4885PTGIR 1359/4885

“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.