SCHEMBL4508045

SCHEMBL4508045

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2nc(C)ccc2OCc2ccccc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.42
PSEN1 P49768 4/20 0.37
ALOX5 P09917 3/20 0.37
PPARG P37231 3/20 0.37
PTGES O14684 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
PDK2 Q15119 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
DHFR P00374 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
LTA4H P09960 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL1588309 0.88 CETP (0.44) CETPPSEN1ALOX5PPARGPTGES
SCHEMBL4499649 0.88 CETP (0.42) CETPCYSLTR2CYSLTR1PDK2GPBAR1
SCHEMBL4495620 0.82 CETP (0.40) CETPGPBAR1
SCHEMBL4506280 0.82 CETP (0.47) CETPPDK2
SCHEMBL129291 0.80 PDK2 (0.41) CETPCYSLTR2CYSLTR1PDK2GPBAR1
SCHEMBL2082005 0.79 CETP (0.41) CETPPPARGPDK2GPBAR1DHFR
SCHEMBL1587666 0.79 GPBAR1 (0.47) CETPPDK2GPBAR1DHFR
SCHEMBL5071423 0.78 CETP (0.44) CETPPSEN1ALOX5PPARGPTGES
SCHEMBL130695 0.78 CETP (0.41) CETPPDK2GPBAR1
SCHEMBL130591 0.78 CETP (0.42) CETPPPARGPDK2GPBAR1

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 CETP 1/4885PSEN1 2699/4885ALOX5 836/4885

“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.