SCHEMBL531860

SCHEMBL531860

COc1cc(Br)c(C(C)C)c(F)c1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 3/20 0.37
TAAR1 Q96RJ0 2/20 0.37
TSHR P16473 1/20 0.37
APOBEC3A P31941 1/20 0.37
HTT P42858 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ACHE P22303 1/20 0.36
TUBB1 Q9H4B7 2/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29127745 0.82 HTR2A (0.40) POLBL3MBTL1HTR2ATAAR1
SCHEMBL10242217 0.80 ACHE (0.42) POLBACHETUBB1CYP3A4MAPT
SCHEMBL20780496 0.80 ACHE (0.38) POLBACHECYP3A4MAPT
SCHEMBL1729022 0.77 MAPT (0.48) POLBL3MBTL1TSHRAPOBEC3AHTT
SCHEMBL31558727 0.76 CA2 (0.39) TSHRAPOBEC3AHTTAPOBEC3GMAPT
SCHEMBL13413320 0.76 TAAR1 (0.44) L3MBTL1HTR2ATAAR1ACHETUBB1
SCHEMBL13395094 0.76 CYP3A4 (0.40) POLBHTR2ATSHRACHECYP3A4
SCHEMBL15713191 0.72 ACHE (0.48) L3MBTL1HTR2AHTTACHECYP3A4
SCHEMBL10073312 0.72 TUBB1 (0.42) TSHRAPOBEC3AHTTAPOBEC3GACHE
SCHEMBL16133968 0.70 GAA (0.34) POLBL3MBTL1HTR2ATAAR1MAPT

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 24 patents — showing the first 20. 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-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-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 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-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 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-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 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-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-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
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 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-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 POLB 1365/4885L3MBTL1 2269/4885HTR2A 3766/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP POLB 1365/4885L3MBTL1 2269/4885HTR2A 3766/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP POLB 1365/4885L3MBTL1 2269/4885HTR2A 3766/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP POLB 1365/4885L3MBTL1 2269/4885HTR2A 3766/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP POLB 1365/4885L3MBTL1 2269/4885HTR2A 3766/4885

“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.