SCHEMBL2082005

SCHEMBL2082005

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2N(CC)Cc2ccccc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.41
DHFR P00374 1/20 0.40
PDK2 Q15119 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FAAH O00519 2/20 0.38
CASR P41180 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LTA4H P09960 4/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL1587631 0.91 CETP (0.39) CETPDHFRPDK2PPARGPPARD
SCHEMBL1588147 0.89 CETP (0.41) CETPPDK2GPBAR1PPARGPPARD
SCHEMBL1588309 0.89 CETP (0.44) CETPPDK2PPARGPPARDPPARA
SCHEMBL1587666 0.89 GPBAR1 (0.47) CETPDHFRPDK2FAAHGPBAR1
SCHEMBL1587427 0.89 CETP (0.41) CETPPDK2GPBAR1PPARGPPARD
SCHEMBL1587626 0.88 CETP (0.41) CETPDHFRPDK2TSHRPPARG
SCHEMBL134654 0.88 CETP (0.42) CETPPDK2PPARGPPARDPPARA
SCHEMBL1587465 0.87 CETP (0.41) CETPPDK2PPARGPPARDPPARA
SCHEMBL1587503 0.86 CETP (0.39) CETPDHFRPDK2KDM4EALDH1A1
SCHEMBL1587682 0.85 CETP (0.40) CETPDHFRPDK2ALDH1A1PPARG

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 5 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-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 (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-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885DHFR 1912/4885PDK2 4237/4885

“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.