SCHEMBL1587798

SCHEMBL1587798

CCCN(CC1CC1)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 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.39
S1PR1 P21453 1/20 0.36
LTC4S Q16873 1/20 0.35
AR P10275 1/20 0.34
BRD4 O60885 1/20 0.33
F2 P00734 1/20 0.33
CRHR1 P34998 1/20 0.33
PDK2 Q15119 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
SCHEMBL1587422 0.93 AR (0.37) CETPS1PR1LTC4SARBRD4
SCHEMBL1588409 0.92 CETP (0.46) CETPS1PR1LTC4SAR
SCHEMBL1588099 0.91 CETP (0.45) CETPS1PR1LTC4SAR
SCHEMBL1588098 0.91 CETP (0.40) CETPLTC4SARCRHR1
SCHEMBL1587645 0.87 CETP (0.36) CETPS1PR1ARBRD4
SCHEMBL1587631 0.87 CETP (0.39) CETPBRD4PDK2
SCHEMBL4493410 0.86 CYSLTR2 (0.38) CETPS1PR1LTC4SCRHR1PDK2
SCHEMBL1588147 0.86 CETP (0.41) CETPBRD4PDK2
SCHEMBL1587427 0.85 CETP (0.41) CETPBRD4PDK2
SCHEMBL4498143 0.85 CETP (0.38) CETPS1PR1LTC4SARF2

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 1/4885S1PR1 1283/4885LTC4S 501/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885S1PR1 1283/4885LTC4S 501/4885

“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.