SCHEMBL531776

SCHEMBL531776

C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(Cl)ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.60
NR1I2 O75469 3/20 0.55
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3624254 1.00 CETP (0.60) CETPNR1I2KCNH2
SCHEMBL1060483 0.90 CETP (0.61) CETPNR1I2KCNH2
SCHEMBL4214900 0.88 CETP (0.61) CETPNR1I2
SCHEMBL531804 0.88 CETP (0.61) CETPNR1I2
SCHEMBL4214903 0.88 CETP (0.61) CETPNR1I2
SCHEMBL532692 0.88 CETP (0.60) CETPNR1I2
SCHEMBL10243219 0.88 CETP (0.60) CETPNR1I2
SCHEMBL13395309 0.88 CETP (0.60) CETPNR1I2
SCHEMBL531864 0.86 CETP (0.61) CETPNR1I2
SCHEMBL10242224 0.86 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 14 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
US-8440702-B2 1,3-oxazolidin -2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2029560-B1 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-04-24 EP 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-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-7915271-B2 1,3-oxazolidin-2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-29 US 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-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-05-28 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 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 (7 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 67/4885KCNH2 2563/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885KCNH2 2563/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885KCNH2 2563/4885
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS CETP, MTTP, APOB CETP 1/4885NR1I2 111/4885KCNH2 4335/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885KCNH2 2563/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885KCNH2 2563/4885
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors CETP, MTTP, APOB CETP 1/4885NR1I2 111/4885KCNH2 4335/4885

“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.