SCHEMBL4093843

SCHEMBL4093843

O=C(O)CC1CCc2c1[nH]c1c(Br)cc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 5/20 0.48
TBXA2R P21731 4/20 0.48
PTGER3 P43115 3/20 0.48
PTGER2 P43116 3/20 0.48
PTGIR P43119 3/20 0.48
PTGER1 P34995 2/20 0.48
PTGFR P43088 2/20 0.48
PTGER4 P35408 1/20 0.48
S1PR1 P21453 14/20 0.42
PDE2A O00408 1/20 0.42
S1PR4 O95977 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
S1PR5 Q9H228 1/20 0.38
PDE4A P27815 1/20 0.37
TSPO P30536 1/20 0.37
DRD3 P35462 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL5420470 1.00 PTGDR (0.48) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL1255235 0.93 PDE2A (0.50) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL14562372 0.82 HTR2A (0.36) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL13407089 0.82 HTR2A (0.36) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5424892 0.81 PTGDR (0.52) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL6820539 0.81 TBXA2R (0.53) PTGDRTBXA2RPTGER2S1PR1
SCHEMBL9518113 0.81 TBXA2R (0.48) PTGDRTBXA2RS1PR1PDE2A
SCHEMBL5526809 0.79 S1PR1 (0.40) S1PR1S1PR4ADORA3S1PR5
SCHEMBL4101457 0.78 CYP11B1 (0.41) PTGDRTBXA2RS1PR1PDE2A
SCHEMBL5421567 0.78 S1PR1 (0.59) S1PR1S1PR4ADORA3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116244-B1 Method of treating atherosclerosis, dyslipidemias and related conditions SCHERING CORP (US) 2012-08-08 EP disclosed
US-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
US-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
EP-2286816-A1 Method of treating atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-02-23 EP disclosed
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT BERTHELETTE CARL 2010-04-01 US disclosed
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT BERTHELETTE CARL 2010-04-01 US disclosed
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions CHENG KANG 2010-03-25 US disclosed
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions CHENG KANG 2010-03-25 US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
US-20070054951-A1 Fluoro-methanesulfonyl-substituted cycloalkanoindoles and their use as prostaglandin D2 antagonists MERCK FROSST CANADA & CO. (CA) 2007-03-08 US disclosed
WO-2006089309-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS MERCK & CO., INC. (US) 2006-08-24 WO disclosed
US-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment BERTHELETTE CARL 2006-03-30 US disclosed
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions CHENG KANG (US) 2004-11-18 US disclosed
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. MERCK FROSST CANADA & CO. (CA) 2003-08-21 US 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 (11 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-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885TBXA2R 17/4885PTGER3 2/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 PTGDR 518/4885TBXA2R 53/4885PTGER3 713/4885
US-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT PTGER1, PTGER3, PTGER2 PTGDR 7/4885TBXA2R 17/4885PTGER3 2/4885
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. PTGES, PTGIR, PTGER1 PTGDR 14/4885TBXA2R 25/4885PTGER3 7/4885
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions LDLR, LPAR5, FFAR1 PTGDR 164/4885TBXA2R 44/4885PTGER3 250/4885
US-20070054951-A1 Fluoro-methanesulfonyl-substituted cycloalkanoindoles and their use as prostaglandin D2 antagonists PTGDR2, PTGER2, PTGDR PTGDR 3/4885TBXA2R 18/4885PTGER3 7/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 PTGDR 591/4885TBXA2R 44/4885PTGER3 574/4885
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, LIPA, APOB PTGDR 97/4885TBXA2R 68/4885PTGER3 139/4885
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT PTGER1, PTGER3, PTGER2 PTGDR 7/4885TBXA2R 17/4885PTGER3 2/4885
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PTGER3 497/4885
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 PTGDR 201/4885TBXA2R 37/4885PTGER3 497/4885

“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.