SCHEMBL130448

SCHEMBL130448

O=C(O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2Oc2ncccn2)nc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.49
FFAR1 O14842 2/20 0.38
TBXA2R P21731 2/20 0.37
PPARD Q03181 5/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
MGLL Q99685 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL130591 0.89 CETP (0.42) CETPPPARDPPARGPPARA
SCHEMBL1588473 0.86 CETP (0.50) CETPFFAR1PPARDPPARGPPARA
SCHEMBL2080919 0.86 CETP (0.49) CETPFFAR1PPARDPPARGPPARA
SCHEMBL5067512 0.85 CETP (0.52) CETPPPARDPPARGPPARA
SCHEMBL134603 0.85 CETP (0.49) CETPFFAR1FFAR4
SCHEMBL130946 0.84 CETP (0.49) CETPFFAR1FFAR4
SCHEMBL1588772 0.84 CETP (0.50) CETPPPARDPPARGPPARAMGLL
SCHEMBL1587676 0.84 CETP (0.52) CETPFFAR1PPARDPPARGPPARA
SCHEMBL12062466 0.83 CETP (0.60) CETPTBXA2R
SCHEMBL1588383 0.83 CETP (0.52) CETPFFAR1PPARDPPARGPPARA

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-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (2 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB CETP 1/4885FFAR1 583/4885TBXA2R 1056/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885FFAR1 583/4885TBXA2R 1056/4885

“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.