SCHEMBL6311890

SCHEMBL6311890

CCc1cc(Oc2cccc(N(Cc3cc(C(F)(F)F)ccc3F)C(CO)c3ccc(C(F)(F)F)cc3)c2)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.67
HTR2A P28223 3/20 0.38
SLC6A4 P31645 3/20 0.38
KCNH2 Q12809 3/20 0.38
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
PPARG P37231 2/20 0.33

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
SCHEMBL6304761 0.94 CETP (0.66) CETPHTR2ASLC6A4KCNH2NR1H2
SCHEMBL6305337 0.94 CETP (0.67) CETPHTR2ASLC6A4KCNH2NR1H2
SCHEMBL6304765 0.89 CETP (0.63) CETPHTR2ASLC6A4KCNH2NR1H2
SCHEMBL6311902 0.88 CETP (0.66) CETPHTR2ASLC6A4KCNH2NR1H2
SCHEMBL6312123 0.88 CETP (0.50) CETP
SCHEMBL7082161 0.86 CETP (0.62) CETP
SCHEMBL6311201 0.85 CETP (0.64) CETPHTR2ASLC6A4KCNH2NR1H2
SCHEMBL6311685 0.85 CETP (0.47) CETPNR1H2NR1H3PPARG
SCHEMBL6305340 0.85 CETP (0.64) CETP
SCHEMBL7082558 0.84 CETP (0.47) CETPHTR2ASLC6A4KCNH2NR1H2

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 1/4885HTR2A 1430/4885SLC6A4 507/4885

“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.