SCHEMBL4493410

SCHEMBL4493410

CCCN(CC1CC1)c1nc2ccccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)OCC)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
CETP P11597 5/20 0.37
CRHR1 P34998 3/20 0.34
S1PR1 P21453 1/20 0.34
PDK2 Q15119 1/20 0.33
LTC4S Q16873 3/20 0.33
DHFR P00374 1/20 0.33
ALOX5AP P20292 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL4496365 0.92 CETP (0.43) CYSLTR2CYSLTR1CETPCRHR1LTC4S
SCHEMBL4498143 0.87 CETP (0.38) CETPCRHR1S1PR1LTC4S
SCHEMBL1587798 0.86 CETP (0.39) CETPCRHR1S1PR1PDK2LTC4S
SCHEMBL22205111 0.83 CETP (0.44) CYSLTR2CYSLTR1CETPS1PR1LTC4S
SCHEMBL4490321 0.82 CETP (0.43) CETPCRHR1LTC4S
SCHEMBL1587422 0.80 AR (0.37) CETPCRHR1S1PR1LTC4SPPARG
SCHEMBL4490780 0.80 CETP (0.36) CETPCRHR1
SCHEMBL4515207 0.79 CETP (0.45) CETPCRHR1LTC4S
SCHEMBL5624201 0.79 CETP (0.39) CETPCRHR1
SCHEMBL4493484 0.78 CETP (0.43) CETPCRHR1S1PR1LTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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 (1 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB CYSLTR2 1167/4885CYSLTR1 1375/4885CETP 1/4885

“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.