SCHEMBL1587675

SCHEMBL1587675

CCOC(=O)CC1CCC(CN(CC)c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCO)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.39
CCRL2 O00421 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LTC4S Q16873 1/20 0.35
SCD O00767 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
DHFR P00374 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL1587672 1.00 CETP (0.39) CETPCCRL2CYP11B1CYP11B2LTC4S
SCHEMBL1587724 0.92 CETP (0.40) CETPLTC4SSCDPTGDR2GPBAR1
SCHEMBL1587722 0.92 CETP (0.40) CETPLTC4SSCDPTGDR2GPBAR1
SCHEMBL1587340 0.91 CETP (0.37) CETPCCRL2CYP11B1CYP11B2LTC4S
SCHEMBL1587339 0.91 CETP (0.37) CETPCCRL2CYP11B1CYP11B2LTC4S
SCHEMBL2081888 0.90 CETP (0.38) CETPCCRL2CYP11B1CYP11B2LTC4S
SCHEMBL2081889 0.90 CETP (0.38) CETPCCRL2CYP11B1CYP11B2LTC4S
SCHEMBL1587798 0.85 CETP (0.39) CETPLTC4S
SCHEMBL1587888 0.84 CETP (0.39) CETPLTC4S
SCHEMBL1588420 0.82 CETP (0.41) CETPLTC4SPTGDR2

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 1/4885CCRL2 1608/4885CYP11B1 509/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885CCRL2 1608/4885CYP11B1 509/4885

“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.