SCHEMBL1587625

SCHEMBL1587625

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2NCCC(=O)OCC)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
CETP P11597 9/20 0.40
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PDK2 Q15119 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1588002 0.96 CETP (0.45) MGLLCETPPPARGPPARDPPARA
SCHEMBL1587794 0.95 CETP (0.38) MGLLCETPPPARGPPARDPPARA
SCHEMBL1588012 0.94 CETP (0.41) MGLLCETPPPARGPPARDPPARA
SCHEMBL134654 0.89 CETP (0.42) CETPPPARGPPARDPPARAPDK2
SCHEMBL1588147 0.87 CETP (0.41) CETPPPARGPPARDPPARAPDK2
SCHEMBL5140944 0.87 CETP (0.40) MGLLCETPPPARGPPARDPPARA
SCHEMBL129882 0.87 CETP (0.40) MGLLCETPPPARGPPARDPPARA
SCHEMBL1587427 0.87 CETP (0.41) CETPPPARGPPARDPPARAPDK2
SCHEMBL5071423 0.86 CETP (0.44) CETPPPARGPPARDPPARASMN1; SMN2
SCHEMBL1587666 0.85 GPBAR1 (0.47) CETPPDK2

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 MGLL 30/4885CETP 1/4885PPARG 1351/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB MGLL 30/4885CETP 1/4885PPARG 1351/4885

“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.