SCHEMBL1587422

SCHEMBL1587422

CCCN(CC1CC1)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C#N)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)OCC)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
CETP P11597 6/20 0.35
S1PR1 P21453 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
LTC4S Q16873 1/20 0.32
F2 P00734 1/20 0.32
ENPP2 Q13822 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
PLK1 P53350 1/20 0.30
BRD4 O60885 1/20 0.30
CRHR1 P34998 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
MEN1 O00255 1/20 0.30
BRCA1 P38398 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1587798 0.93 CETP (0.39) ARCETPS1PR1LTC4SF2
SCHEMBL1588214 0.93 CETP (0.41) ARCETPS1PR1MRGPRX4LTC4S
SCHEMBL5134797 0.87 CETP (0.40) ARCETPS1PR1MRGPRX4LTC4S
SCHEMBL12775280 0.86 AR (0.42) ARCETPLTC4SPLK1CRHR1
SCHEMBL1588409 0.85 CETP (0.46) ARCETPS1PR1LTC4SPPARG
SCHEMBL1588361 0.85 AR (0.41) ARCETPMRGPRX4LTC4SPLK1
SCHEMBL1588099 0.85 CETP (0.45) ARCETPS1PR1LTC4SPPARG
SCHEMBL1588098 0.85 CETP (0.40) ARCETPLTC4SPPARDPPARA
SCHEMBL1587729 0.84 AR (0.41) ARCETPLTC4SPLK1CRHR1
SCHEMBL12051454 0.82 AR (0.42) ARCETPPLK1CRHR1

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 AR 2196/4885CETP 1/4885S1PR1 1283/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB AR 2196/4885CETP 1/4885S1PR1 1283/4885

“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.