SCHEMBL1587724

SCHEMBL1587724

CCN(CC1CCC(CC(=O)O)CC1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCO)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.40
LTC4S Q16873 1/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
DGAT1 O75907 5/20 0.36
SOAT1 P35610 2/20 0.36
KCNH2 Q12809 2/20 0.35
SCD O00767 1/20 0.35
CYP3A4 P08684 3/20 0.35
TACR1 P25103 3/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ADORA2A P29274 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL1587722 1.00 CETP (0.40) CETPLTC4SPPARDPPARADGAT1
SCHEMBL1587675 0.92 CETP (0.39) CETPLTC4SSCDPTGDR2GPBAR1
SCHEMBL1587672 0.92 CETP (0.39) CETPLTC4SSCDPTGDR2GPBAR1
SCHEMBL1588420 0.87 CETP (0.41) CETPLTC4SPPARDPPARATACR1
SCHEMBL1587790 0.86 CETP (0.41) CETPLTC4SPPARDPPARATACR1
SCHEMBL1587888 0.86 CETP (0.39) CETPLTC4S
SCHEMBL15206827 0.86 PPARD (0.37) CETPLTC4SPPARDPPARADGAT1
Hydrochloric Acid SCHEMBL19307701 0.85 PPARD (0.37) CETPLTC4SPPARDPPARADGAT1
SCHEMBL1588409 0.84 CETP (0.46) CETPLTC4SPPARDPPARAPTGDR2
SCHEMBL680939 0.84 CETP (0.46) CETPCYP3A4TACR1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383253-B1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL]CYCLOHEXYL} ACETIC ESTER KOWA CO (JP) 2014-03-19 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
EP-2383253-A1 METHOD FOR MANUFACTURING TRANS-{4-Ý(ALKYL AMINO) METHYL¨CYCLOHEXYL} ACETIC ESTER Kowa Company, Ltd. (JP) 2011-11-02 EP 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 1/4885LTC4S 501/4885PPARD 1687/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885LTC4S 501/4885PPARD 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.