SCHEMBL1491069

SCHEMBL1491069

CCCCOC(=O)CCc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL18174187 0.88 CYP4F2 (0.51) APPEPHX2
SCHEMBL27828656 0.84 EPHX2 (0.42) EPHX2PPARDPPARA
SCHEMBL1568950 0.83 APP (0.42) APPFAAHALDH1A1TDP1L3MBTL1
SCHEMBL584295 0.79 DGKA (0.41) APPALDH1A1TDP1ALOX5
SCHEMBL15255731 0.78 HDAC1 (0.50) APPALDH1A1TDP1L3MBTL1PTGES
SCHEMBL16961446 0.78 FFAR1 (0.52) EPHX2PPARDPPARA
SCHEMBL584877 0.78 DGKA (0.46) APPALDH1A1TDP1ALOX5
SCHEMBL13557302 0.77 PDE2A (0.44) EPHX2
SCHEMBL9241128 0.77 LTA4H (0.58) EPHX2ALDH1A1ALOX5
SCHEMBL18174237 0.77 EPHX2 (0.49) EPHX2

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-20110105514-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2307417-A2 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-04-13 EP disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009156951-A2 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-30 WO disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20110105514-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS HCRTR1, HCRTR2, NPY5R APP 791/4885FAAH 871/4885EPHX2 3383/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R APP 991/4885FAAH 817/4885EPHX2 2768/4885

“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.