SCHEMBL1587614

SCHEMBL1587614

CCN(CCCCCC(=O)O)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCOC)cn1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.44
RXRA P19793 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 1/20 0.34
HTT P42858 2/20 0.34
PPARD Q03181 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
SERPINE1 P05121 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
SCHEMBL1587506 0.99 CETP (0.45) CETPRXRANR1H2NR1H3HTT
SCHEMBL1587611 0.92 CETP (0.39) CETPHTTPPARDPPARGPPARA
SCHEMBL1587503 0.91 CETP (0.39) CETPHTTPPARDPPARGPPARA
SCHEMBL1587616 0.91 CETP (0.46) CETPRXRANR1H2PPARDPPARG
SCHEMBL1587426 0.90 CETP (0.47) CETPRXRANR1H2PPARDPPARG
SCHEMBL1588772 0.83 CETP (0.50) CETPRXRANR1H2NR1H3PPARD
SCHEMBL1588669 0.82 CETP (0.45) CETP
SCHEMBL1587496 0.82 CETP (0.47) CETPRXRANR1H2PPARDPPARG
SCHEMBL1587613 0.82 CETP (0.40) CETPPPARDPPARGPPARASERPINE1
SCHEMBL1587631 0.81 CETP (0.39) CETPPPARDPPARGPPARA

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 6 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
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 1/4885RXRA 4140/4885NR1H2 22/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885RXRA 4140/4885NR1H2 22/4885

“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.