SCHEMBL128369

SCHEMBL128369

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2Oc2cc(Cl)ncn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.41
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.34
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 1/20 0.33
PDK2 Q15119 1/20 0.33
MAP2K7 O14733 1/20 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
SCHEMBL129973 0.91 CETP (0.40) CETPPPARDPPARAPPARGBRAF
SCHEMBL130591 0.86 CETP (0.42) CETPPPARDPPARAPPARGPDK2
SCHEMBL5071423 0.85 CETP (0.44) CETPPPARDPPARAPPARG
SCHEMBL134654 0.85 CETP (0.42) CETPPPARDPPARAPPARGPDK2
SCHEMBL1588203 0.84 CETP (0.44) CETPPPARDPPARAPPARG
SCHEMBL1588147 0.83 CETP (0.41) CETPPPARDPPARAPPARGPDK2
SCHEMBL131743 0.83 CETP (0.44) CETPPPARDPPARAPPARGPDK2
SCHEMBL1588309 0.83 CETP (0.44) CETPPPARDPPARAPPARGPDK2
SCHEMBL1587427 0.83 CETP (0.41) CETPPPARDPPARAPPARGPDK2
SCHEMBL1588012 0.82 CETP (0.41) CETPPPARDPPARAPPARGPDK2

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 1/4885PPARD 1687/4885PPARA 983/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885PPARD 1687/4885PPARA 983/4885

“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.