SCHEMBL2137076

SCHEMBL2137076

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccc(Cl)cc1)c1cccc2c1C=CCCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.36
CNR1 P21554 4/20 0.35
UGCG Q16739 3/20 0.33
CTSL P07711 1/20 0.33
CNR2 P34972 2/20 0.32
ABCB1 P08183 1/20 0.31
TP53 P04637 1/20 0.31
PTGER4 P35408 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL5750212 0.98 CETP (0.34) CETPCNR1UGCGCTSLCNR2
SCHEMBL5748991 0.93 UGCG (0.36) CETPCNR1UGCGCTSLCNR2
SCHEMBL5752767 0.93 CETP (0.35) CETPUGCG
SCHEMBL5751530 0.93 CETP (0.35) CETPUGCG
SCHEMBL5752659 0.93 CETP (0.35) CETPUGCGNAMPT
SCHEMBL5750566 0.93 CTSL (0.35) CETPUGCGCTSL
SCHEMBL5751922 0.93 CETP (0.36) CETPUGCGNAMPT
SCHEMBL5752396 0.93 CETP (0.36) CETPUGCGCTSLPTGER4NAMPT
SCHEMBL5751940 0.93 CETP (0.34) CETPUGCGNAMPT
SCHEMBL1899668 0.92 CETP (0.38) CETPUGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1578448-A1 COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND HMG-COA REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2005-09-28 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
WO-2005011634-A1 DOSAGE FORMS PROVIDING CONTROLLED RELEASE OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS AND IMMEDIATE RELEASE OF HMG-COA REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2005-02-10 WO 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-2004056358-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR PFIZER PRODUCTS INC. (US) 2004-07-08 WO 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-2004056359-A1 DOSAGE FORMS COMPRISING A CETP INHIBITOR AND AN HMG-COA REDUCTASE INHIBITOR 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 CETP 1/4885CNR1 3762/4885UGCG 1338/4885
US-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CETP 1/4885CNR1 401/4885UGCG 740/4885
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP CETP 1/4885CNR1 3597/4885UGCG 1100/4885
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors CETP, HMGCR, CHLSN CETP 1/4885CNR1 3541/4885UGCG 743/4885

“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.