SCHEMBL532052

SCHEMBL532052

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1C=N

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.53
NR1I2 O75469 1/20 0.46
CASR P41180 2/20 0.45

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
SCHEMBL132467 0.88 CETP (0.53) CETPNR1I2CASR
SCHEMBL12521127 0.85 CETP (0.48) CETPNR1I2CASR
SCHEMBL4011735 0.84 CETP (0.57) CETPNR1I2
SCHEMBL5165035 0.83 CETP (0.54) CETPNR1I2CASR
SCHEMBL23846705 0.82 CETP (0.53) CETPNR1I2CASR
SCHEMBL29786780 0.82 CETP (0.53) CETPNR1I2CASR
SCHEMBL5165026 0.81 CETP (0.53) CETPNR1I2CASR
SCHEMBL5168046 0.79 CETP (0.50) CETPNR1I2
SCHEMBL4154599 0.79 CETP (0.53) CETPNR1I2CASR
SCHEMBL531538 0.79 CETP (0.61) CETPNR1I2

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-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885CASR 4268/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885CASR 4268/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885CASR 4268/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885CASR 4268/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885CASR 4268/4885

“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.