SCHEMBL2139706

SCHEMBL2139706

O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc(F)c1)c1cccc2c1C=CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
PTGER4 P35408 5/20 0.36
KLRK1 P26718 4/20 0.35
MICA Q29983 4/20 0.35
RAET1L Q5VY80 3/20 0.35
CXCR5 P32302 1/20 0.35
FFAR2 O15552 1/20 0.34
UGCG Q16739 1/20 0.34
MTTP P55157 2/20 0.33
HDAC11 Q96DB2 1/20 0.33
BACE1 P56817 2/20 0.33
BCHE P06276 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MDM2 Q00987 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1900082 0.92 PTGER4 (0.38) PTGER4KLRK1MICARAET1LCXCR5
SCHEMBL1898861 0.85 CXCR5 (0.47) OPRM1OPRL1PTGER4KLRK1MICA
SCHEMBL2138756 0.85 MAPK14 (0.40) PTGER4CXCR5UGCGMTTP
SCHEMBL5751888 0.84 CETP (0.37) UGCG
SCHEMBL5751536 0.84 PTGER4 (0.38) PTGER4UGCGBACE1BCHE
SCHEMBL5752403 0.83 CTSL (0.36) PTGER4FFAR2CYP3A4CYP2D6
SCHEMBL5752534 0.83 CTSL (0.38) PTGER4BACE1BCHE
SCHEMBL5752724 0.82 PTGER4 (0.35) PTGER4CXCR5FFAR2HDAC11
SCHEMBL5752438 0.82 CTSL (0.36) PTGER4BACE1
SCHEMBL2136000 0.81 PTGER4 (0.39) PTGER4UGCGBACE1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US claimed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US claimed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP claimed
US-7897175-B2 Cholesteryl ester transfer protein (CETP) such as torcetrapib; 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase); two drugs are separate from each other; improved chemical stability of the HMG-CoA reductase inhibitor BEND RESEARCH, INC. (US) 2011-03-01 US disclosed
EP-1961419-B1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor PFIZER PROD INC (US) 2010-03-24 EP disclosed
EP-1961419-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor Pfizer Products Inc. (US) 2008-08-27 EP disclosed
EP-1581210-B1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PROD INC (US) 2008-03-19 EP disclosed
EP-1653926-A1 DOSAGE FORMS PROVIDING CONTROLLED RELEASE OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND IMMEDIATE RELEASE OF HMG-COA REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
EP-1581210-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
EP-1578415-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR Pfizer Products Inc. (US) 2005-09-28 EP disclosed
US-20040197398-A1 Dosage forms comprising a CETP inhibitors and an HMG-CoA reductase inhibitor PFIZER INC. 2004-10-07 US disclosed
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor PFIZER INC 2004-09-23 US disclosed
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors PFIZER INC 2004-07-08 US disclosed
WO-2004056395-A1 COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-COA REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056358-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056359-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
WO-2004056396-A1 DOSAGE FORMS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-CoA REDUCTASE INHIBITORS WITH IMPROVED PERFORMANCE PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040197398-A1 Dosage forms comprising a CETP inhibitors and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP OPRM1 4559/4885OPRL1 4240/4885PTGER4 2003/4885
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP OPRM1 2976/4885OPRL1 1125/4885PTGER4 1632/4885
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP OPRM1 4561/4885OPRL1 3924/4885PTGER4 2970/4885
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors CETP, HMGCR, CHLSN OPRM1 4278/4885OPRL1 3744/4885PTGER4 2907/4885

“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.