SCHEMBL1736290

SCHEMBL1736290

CC(C)c1cc(C#N)cc2nc(-c3ccc(CI)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
SCHEMBL1734951 0.88 CETP (0.52) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1735063 0.87 ESR1 (0.54) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1734999 0.86 ESR1 (0.49) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1735124 0.85 ESR1 (0.48) ESR1ESR2CETPKCNH2
SCHEMBL1735106 0.84 CETP (0.54) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1734615 0.84 CETP (0.51) ESR1ESR2CETPKCNH2
SCHEMBL12153139 0.82 ESR2 (0.54) ESR1ESR2CETP
SCHEMBL1735013 0.81 ESR1 (0.51) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL1734027 0.81 ESR1 (0.51) ESR1ESR2CETPKCNH2CEPT1
SCHEMBL15088548 0.81 CETP (0.58) ESR1ESR2CETPKCNH2

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
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-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.