SCHEMBL1587465

SCHEMBL1587465

CCCC(=O)N(CC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)OCC)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.41
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
PDK2 Q15119 1/20 0.35
BRD4 O60885 1/20 0.34
LTB4R2 Q9NPC1 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
SCHEMBL1587626 0.93 CETP (0.41) CETPPPARGPPARDPPARAPDK2
SCHEMBL1587713 0.92 CETP (0.48) CETPPPARGPPARDPPARALTB4R2
SCHEMBL1587496 0.91 CETP (0.47) CETPPPARGPPARDPPARALTB4R2
SCHEMBL1587495 0.91 CETP (0.41) CETPPPARGPPARDPPARALTB4R2
SCHEMBL1587682 0.90 CETP (0.40) CETPPPARGPPARDPPARAPDK2
SCHEMBL1588147 0.89 CETP (0.41) CETPPPARGPPARDPPARAPDK2
SCHEMBL1587631 0.89 CETP (0.39) CETPPPARGPPARDPPARAPDK2
SCHEMBL1587427 0.89 CETP (0.41) CETPPPARGPPARDPPARAPDK2
SCHEMBL134654 0.88 CETP (0.42) CETPPPARGPPARDPPARAPDK2
SCHEMBL2082005 0.87 CETP (0.41) CETPPPARGPPARDPPARAPDK2

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 4 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-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

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 1/4885PPARG 1351/4885PPARD 1687/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885PPARG 1351/4885PPARD 1687/4885

“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.