SCHEMBL3148394

SCHEMBL3148394

CSc1ccnc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCC1CC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.73
PTGDR Q13258 15/20 0.73
PTGER1 P34995 2/20 0.53
PTGFR P43088 1/20 0.53
PTGER3 P43115 1/20 0.53
PTGER2 P43116 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.53

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
SCHEMBL12923780 0.88 TBXA2R (0.61) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL990995 0.85 TBXA2R (0.73) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL990588 0.85 TBXA2R (1.00) TBXA2RPTGDR
SCHEMBL1255608 0.83 TBXA2R (0.54) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL2922261 0.83 TBXA2R (0.55) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL4466127 0.82 TBXA2R (0.79) TBXA2RPTGDR
SCHEMBL13122993 0.81 TBXA2R (0.80) TBXA2RPTGDR
SCHEMBL10312763 0.79 TBXA2R (0.74) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL4321145 0.77 TBXA2R (0.62) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL5079585 0.76 TBXA2R (0.79) TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070299122-A1 Method of Treating Pathological Blushing 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-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 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 (5 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-20070299122-A1 Method of Treating Pathological Blushing BDKRB2, BDKRB1, PTGIR TBXA2R 9/4885PTGDR 11/4885PTGER1 15/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 TBXA2R 53/4885PTGDR 518/4885PTGER1 258/4885
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions LDLR, LPAR5, FFAR1 TBXA2R 44/4885PTGDR 164/4885PTGER1 129/4885
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 TBXA2R 44/4885PTGDR 591/4885PTGER1 268/4885
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, LIPA, APOB TBXA2R 68/4885PTGDR 97/4885PTGER1 81/4885

“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.