SCHEMBL6312927

SCHEMBL6312927

OCC(c1ccccc1C(F)(F)F)N(Cc1cc(C(F)(F)F)ccc1F)c1cccc(Oc2cccc(Cl)c2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.44
P2RX7 Q99572 1/20 0.34
SLC6A4 P31645 4/20 0.33
HTR2A P28223 3/20 0.33
KCNH2 Q12809 3/20 0.33
MC4R P32245 1/20 0.33
EPAS1 Q99814 1/20 0.31
AR P10275 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6311861 0.94 CETP (0.45) CETPSLC6A4HTR2AKCNH2MC4R
SCHEMBL7082558 0.88 CETP (0.47) CETPP2RX7SLC6A4HTR2AKCNH2
SCHEMBL6312922 0.87 CETP (0.46) CETPP2RX7SLC6A4HTR2AKCNH2
SCHEMBL6304765 0.85 CETP (0.63) CETPSLC6A4HTR2AKCNH2TLR8
SCHEMBL6304217 0.85 CETP (0.44) CETP
SCHEMBL6304082 0.85 CETP (0.40) CETPSLC6A4ARSLC6A2SLC6A3
SCHEMBL6306162 0.84 CETP (0.55) CETP
SCHEMBL6312126 0.83 CETP (0.47) CETP
SCHEMBL6304748 0.83 CETP (0.44) CETP
SCHEMBL6306918 0.83 CETP (0.45) 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 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 1/4885P2RX7 4072/4885SLC6A4 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.