SCHEMBL1735013

SCHEMBL1735013

CC(C)c1cc(C#N)cc2nc(-c3ccc(C=O)cc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CETP P11597 18/20 0.50
KCNH2 Q12809 2/20 0.49
CEPT1 Q9Y6K0 1/20 0.46

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
SCHEMBL1734027 0.88 ESR1 (0.51) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1735106 0.84 CETP (0.54) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1735063 0.84 ESR1 (0.54) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL13082984 0.83 ESR2 (0.43) ESR1ESR2CETPCEPT1
SCHEMBL15088548 0.83 CETP (0.58) ESR1ESR2CETPKCNH2
SCHEMBL2836341 0.83 CETP (0.58) ESR1ESR2CETPKCNH2
SCHEMBL13204422 0.82 ESR2 (0.48) ESR1ESR2CETPCEPT1
SCHEMBL3683385 0.82 CETP (0.57) ESR1ESR2CETPKCNH2
SCHEMBL13204475 0.82 CETP (0.57) ESR1ESR2CETPKCNH2
SCHEMBL1736290 0.81 ESR1 (0.51) ESR1ESR2CETPKCNH2CEPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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 (3 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 ESR1 3810/4885ESR2 1535/4885CETP 1/4885
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP ESR1 2356/4885ESR2 943/4885CETP 1/4885
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP ESR1 2356/4885ESR2 943/4885CETP 1/4885

“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.