SCHEMBL8087046

SCHEMBL8087046

C[C@H](NC(=O)OCc1ccccc1)C(=O)c1cc(Cl)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.54
ATM Q13315 1/20 0.48
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
CTSK P43235 4/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ELANE P08246 1/20 0.46
CTRB1 P17538 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
PTPN7 P35236 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL25781350 0.79 OPRK1 (0.52) CTSKCTSLCTSBCTSSOPRK1
SCHEMBL3305327 0.79 KDM4C (0.69) KDM4CMEN1KMT2AALDH1A1MAPT
SCHEMBL1644719 0.78 TP53 (0.53) ATMMEN1LMNAKMT2ACTSK
SCHEMBL3483760 0.78 TP53 (0.53) ATMMEN1LMNAKMT2ACTSK
SCHEMBL3487855 0.78 TP53 (0.53) ATMMEN1LMNAKMT2ACTSK
SCHEMBL7863246 0.77 ATM (0.50) ATMMEN1LMNAKMT2ACTSK
SCHEMBL8095110 0.76 ATM (0.49) ATMMEN1LMNAKMT2ACTSK
SCHEMBL27752931 0.76 POLB (0.57) ATMMEN1LMNAKMT2ACTSK
SCHEMBL27983616 0.75 KDM4C (0.45) KDM4C
SCHEMBL9434411 0.75 CTSK (0.59) ATMMEN1LMNAKMT2ACTSK

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN 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
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-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
US-20100273835-A1 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2010-10-28 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 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-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
WO-2009007415-A2 NOVEL COMPOUNDS PROBIODRUG AG (DE) 2009-01-15 WO 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

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

For each of this compound's patents that has machine-readable text (4 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 KDM4C 2841/4885ATM 1904/4885MEN1 4409/4885
US-20100273835-A1 NOVEL COMPOUNDS IL6, PREP, PEPD KDM4C 1205/4885ATM 4796/4885MEN1 3157/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP KDM4C 2841/4885ATM 1904/4885MEN1 4409/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP KDM4C 2841/4885ATM 1904/4885MEN1 4409/4885

“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.