SCHEMBL1900660

SCHEMBL1900660

O=C(N[C@H](Cc1cccc(OC(F)(F)C(F)F)c1)[C@H](O)c1ccc(F)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.39
BACE1 P56817 3/20 0.37
SCN9A Q15858 1/20 0.37
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL1900658 1.00 CETP (0.39) CETPBACE1SCN9AEPHX2LMNA
SCHEMBL5754542 1.00 CETP (0.39) CETPBACE1SCN9AEPHX2LMNA
SCHEMBL5749779 0.96 CETP (0.40) CETPBACE1SCN9AEPHX2LMNA
SCHEMBL5752918 0.93 MAPK14 (0.42) CETP
SCHEMBL5755540 0.93 MAPK14 (0.41) CETPBACE1SCN9A
SCHEMBL5752003 0.92 CETP (0.42) CETPBACE1SCN9AMAPT
SCHEMBL5749902 0.90 CNR1 (0.38) SCN9AMAPT
SCHEMBL5752979 0.90 ADRB1 (0.38) CETPSCN9A
SCHEMBL5749925 0.89 CETP (0.35) CETPBACE1SCN9A
SCHEMBL5751303 0.89 BACE1 (0.34) CETPBACE1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054839-A1 Method of inhibiting remnant lipoprotein production JAPAN TOBACCO INC. (JP) 2007-03-08 US claimed
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor JAPAN TOBACCO INC. (JP) 2006-11-30 US claimed
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-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2011-08-04 US disclosed
EP-2319509-A1 Method of Inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-11 EP disclosed
EP-2316447-A1 Method of inhibiting remnant lipoprotein production Japan Tobacco, Inc. (JP) 2011-05-04 EP disclosed
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
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 (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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CETP 1/4885BACE1 835/4885SCN9A 3335/4885
US-20070054839-A1 Method of inhibiting remnant lipoprotein production CETP, PCSK9, LIPA CETP 1/4885BACE1 675/4885SCN9A 4236/4885
US-20040185102-A1 Dosage forms comprising a CETP inhibitor and an HMG-CoA reductase inhibitor CETP, HMGCR, MTTP CETP 1/4885BACE1 1994/4885SCN9A 3280/4885
US-20110189210-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CETP 1/4885BACE1 675/4885SCN9A 4236/4885
US-20060270705-A1 Method for inhibiting lipid absorption and lipid absorption inhibitor CETP, SI, LIPC CETP 1/4885BACE1 1136/4885SCN9A 1846/4885
US-20040132771-A1 Compositions of choleseteryl ester transfer protein inhibitors and HMG-CoA reductase inhibitors CETP, HMGCR, CHLSN CETP 1/4885BACE1 1758/4885SCN9A 4040/4885
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CETP 1/4885BACE1 675/4885SCN9A 4236/4885

“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.