SCHEMBL5669293

SCHEMBL5669293

O[C@H](CNC(c1cccc(Oc2ccnc(OC(F)F)c2)c1)c1cc(C(F)(F)F)ccc1F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.36
BRAF P15056 3/20 0.33
KDR P35968 3/20 0.33
SCN9A Q15858 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
KCNH2 Q12809 2/20 0.32
MAPK1 P28482 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
SCHEMBL5669869 1.00 CETP (0.36) CETPBRAFKDRSCN9AIDO1
SCHEMBL1899843 0.93 CETP (0.34) CETPSCN9AKCNH2MAPK1
SCHEMBL5669603 0.93 CETP (0.34) CETPSCN9AKCNH2MAPK1
SCHEMBL6281114 0.89 CETP (0.39) CETPIDO1TDO2KCNH2
SCHEMBL6568885 0.89 CETP (0.39) CETPIDO1TDO2KCNH2
SCHEMBL5670008 0.88 CETP (0.37) CETPBRAFKDRSCN9AIDO1
SCHEMBL6569043 0.88 CETP (0.37) CETPBRAFKDRSCN9AIDO1
SCHEMBL6568980 0.85 CETP (0.44) CETP
SCHEMBL6566955 0.85 CETP (0.47) CETP
SCHEMBL6568209 0.85 CETP (0.47) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
US-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-04-24 US claimed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 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 (1 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-20030078264-A1 (R)-chiral halogenated substituted N,N-bis-benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP CETP 1/4885BRAF 3641/4885KDR 2177/4885

“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.