SCHEMBL531518

SCHEMBL531518

C[C@H]1NC(=O)O[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.48
NR1I2 O75469 3/20 0.48
SCN5A Q14524 1/20 0.48
IKBKB O14920 1/20 0.36
AKR1C3 P42330 1/20 0.35
TACR1 P25103 4/20 0.35
DAO P14920 1/20 0.35
GRM5 P41594 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL531344 1.00 CETP (0.48) CETPNR1I2SCN5AIKBKBAKR1C3
SCHEMBL532586 1.00 CETP (0.48) CETPNR1I2SCN5AIKBKBAKR1C3
SCHEMBL531329 1.00 CETP (0.48) CETPNR1I2SCN5AIKBKBAKR1C3
SCHEMBL531605 1.00 CETP (0.48) CETPNR1I2SCN5AIKBKBAKR1C3
SCHEMBL531606 1.00 CETP (0.48) CETPNR1I2SCN5AIKBKBAKR1C3
SCHEMBL13905492 0.91 CETP (0.43) CETPNR1I2SCN5AIKBKBGRM5
SCHEMBL17366579 0.91 CETP (0.43) CETPNR1I2SCN5AIKBKBGRM5
SCHEMBL10086303 0.91 CETP (0.43) CETPNR1I2SCN5AIKBKBGRM5
SCHEMBL13905501 0.91 CETP (0.43) CETPNR1I2SCN5AIKBKBGRM5
SCHEMBL10260659 0.91 CETP (0.43) CETPNR1I2SCN5ATACR1GRM5

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
EP-2985022-B1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
EP-2943474-B1 BIARYL- OR HETEROCYCLIC BIARYL-SUBSTITUTED CYCLOHEXENE DERIVATIVE COMPOUNDS AS CETP INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-07-05 EP disclosed
US-9493430-B2 Biaryl- or heterocyclic biaryl-substituted cyclohexene derivative compounds as CETP inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-11-15 US disclosed
US-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-08-18 US disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
EP-2985022-A1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2016-02-17 EP disclosed
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CHONG KUN DANG PHARM CORP (KR) 2015-11-12 US disclosed
EP-1901741-B1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
WO-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed
EP-2029560-A2 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS Merck & Co., Inc. (US) 2009-03-04 EP disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1983966-A2 POLYMER FORMULATIONS OF CETP INHIBITORS Merck & Co., Inc. (US) 2008-10-29 EP disclosed
WO-2008082567-A1 PROCESS FOR SYNTHESIZING A CETP INHIBITOR MERCK & CO., INC. (US) 2008-07-10 WO disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
WO-2007092642-A2 POLYMER FORMULATIONS OF CETP INHIBITORS MERCK & CO., INC. (US) 2007-08-16 WO disclosed
WO-2007079186-A2 1, 3-OXAZOLIDIN-2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-12 WO 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

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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 74/4885SCN5A 2915/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885SCN5A 3597/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885SCN5A 3597/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 CETP 4675/4885NR1I2 944/4885SCN5A 1784/4885
US-20160237046-A9 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 CETP 1/4885NR1I2 83/4885SCN5A 2875/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885SCN5A 3597/4885
US-20150322023-A1 Biaryl- or Heterocyclic Biaryl-Substituted Cyclohexene Derivative Compounds as CETP Inhibitors CETP, LIPC, PCSK9 CETP 1/4885NR1I2 83/4885SCN5A 2875/4885

“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.