SCHEMBL532309

SCHEMBL532309

CC(C)(C)N(C(=O)O)[C@@H](C=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SRC P12931 1/20 0.35
ALOX5 P09917 1/20 0.35
AOC3 Q16853 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP2C19 P33261 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL19348988 1.00 CYP2D6 (0.39) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL17846081 1.00 CYP2D6 (0.39) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL18222261 0.85 BRD4 (0.38) CYP2D6KMT2AMEN1LMNACYP2C19
SCHEMBL1936243 0.77 CYP2D6 (0.43) CYP2D6KDM4EKMT2AMEN1SRC
SCHEMBL4352633 0.76 KDM4E (0.39) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL1274248 0.76 KDM4E (0.39) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL28340791 0.75 ATM (0.41) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL3326907 0.75 AOC3 (0.44) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL17076397 0.74 ATM (0.40) CYP2D6ATMKDM4EKMT2AL3MBTL1
SCHEMBL17076396 0.74 ATM (0.40) CYP2D6ATMKDM4EKMT2AL3MBTL1

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 9 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
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 (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 CYP2D6 731/4885ATM 1904/4885KDM4E 1437/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CYP2D6 731/4885ATM 1904/4885KDM4E 1437/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CYP2D6 731/4885ATM 1904/4885KDM4E 1437/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CYP2D6 731/4885ATM 1904/4885KDM4E 1437/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CYP2D6 731/4885ATM 1904/4885KDM4E 1437/4885

“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.