SCHEMBL6311703

SCHEMBL6311703

CCCC(O)CN(Cc1ccc(C(F)(F)F)cc1F)c1cccc(OCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.54
MAOB P27338 2/20 0.45
S1PR1 P21453 1/20 0.45
PRKX P51817 1/20 0.45
IKBKE Q14164 1/20 0.45
S1PR5 Q9H228 1/20 0.45
NR4A2 P43354 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6313649 0.94 CETP (0.55) CETPMAOBNR4A2MAPTHTT
SCHEMBL6306080 0.93 CETP (0.61) CETP
SCHEMBL6304610 0.88 CETP (0.64) CETP
SCHEMBL6311438 0.88 CETP (0.55) CETPMAOBS1PR1PRKXIKBKE
SCHEMBL993458 0.88 CETP (0.69) CETP
SCHEMBL6424755 0.88 CETP (0.69) CETP
SCHEMBL6312448 0.87 CETP (0.62) CETP
SCHEMBL6304923 0.86 CETP (0.60) CETPMAOB
SCHEMBL6312355 0.86 CETP (0.55) CETPMAOBS1PR1PRKXIKBKE
SCHEMBL6307223 0.85 CETP (0.54) CETPMAOBS1PR1PRKXIKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861561-B2 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G. D. SEARLE & CO. (US) 2005-03-01 US claimed
US-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-12-04 US claimed
US-6482862-B1 Method of using substituted N-benzyl-N-phenyl aminoalcohols for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-11-19 US claimed

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-20030225088-A1 Substituted aromatic policyclic tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, MTTP CETP 1/4885MAOB 1526/4885S1PR1 1731/4885

“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.