SCHEMBL6311682

SCHEMBL6311682

OCC(c1cccc(C(F)(F)F)c1)N(Cc1cc(C(F)(F)F)ccc1F)c1cccc(OCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.47
NR4A2 P43354 2/20 0.44
MAOB P27338 9/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.40
PRKX P51817 1/20 0.40
IKBKE Q14164 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL6307697 0.94 CETP (0.47) CETPNR4A2MAOBMRGPRX4MAPT
SCHEMBL7080766 0.94 CETP (0.47) CETPNR4A2MAOBMRGPRX4MAPT
SCHEMBL6308339 0.94 CETP (0.46) CETPNR4A2MAOBMRGPRX4MAPT
SCHEMBL6304804 0.88 CETP (0.46) CETPNR4A2MAOBMRGPRX4MAPT
SCHEMBL6312395 0.88 CETP (0.47) CETPNR4A2MAOBMRGPRX4S1PR1
SCHEMBL6304631 0.88 CETP (0.47) CETPNR4A2MAOBMRGPRX4FFAR1
SCHEMBL6307704 0.88 CETP (0.44) CETPNR4A2MAOBMRGPRX4MAPT
SCHEMBL7081939 0.87 CETP (0.49) CETP
SCHEMBL6304795 0.86 CETP (0.49) CETPNR4A2MAOBMRGPRX4MAPT
SCHEMBL6306279 0.84 CETP (0.65) CETPNR4A2

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 1/4885NR4A2 1830/4885MAOB 1526/4885

“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.