SCHEMBL2080919

SCHEMBL2080919

O=C(O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2O)nc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.49
FFAR4 Q5NUL3 3/20 0.42
RXRA P19793 3/20 0.36
NR1H2 P55055 3/20 0.36
MGLL Q99685 1/20 0.36
PPARD Q03181 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
FFAR1 O14842 2/20 0.36
NR1H3 Q13133 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
SCHEMBL1588473 0.99 CETP (0.50) CETPFFAR4RXRANR1H2MGLL
SCHEMBL2080918 0.90 CETP (0.42) CETPFFAR4
SCHEMBL130946 0.89 CETP (0.49) CETPFFAR4FFAR1
SCHEMBL1588772 0.89 CETP (0.50) CETPRXRANR1H2MGLLPPARD
SCHEMBL134603 0.88 CETP (0.49) CETPFFAR4FFAR1
SCHEMBL134654 0.87 CETP (0.42) CETPFFAR4PPARDPPARGPPARA
SCHEMBL5067512 0.86 CETP (0.52) CETPPPARDPPARGPPARA
SCHEMBL1588383 0.86 CETP (0.52) CETPFFAR4MGLLPPARDPPARG
SCHEMBL130448 0.86 CETP (0.49) CETPFFAR4MGLLPPARDPPARG
SCHEMBL1587616 0.85 CETP (0.46) CETPRXRANR1H2PPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 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 (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-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885FFAR4 827/4885RXRA 4140/4885

“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.