SCHEMBL584295

SCHEMBL584295

CCCCOC(=O)CCc1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APP P05067 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DAO P14920 1/20 0.37
ALOX5 P09917 1/20 0.37
P2RY10 O00398 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL584877 0.86 DGKA (0.46) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL584629 0.83 DGKA (0.44) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL585842 0.82 ALOX5 (0.43) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL1491069 0.79 APP (0.42) ALDH1A1TDP1APPALOX5
SCHEMBL585093 0.76 ALDH1A1 (0.41) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL584536 0.74 APP (0.43) ALDH1A1TDP1ESR1APPSMN1; SMN2
SCHEMBL7680938 0.74 DGKA (0.46) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL9228444 0.74 ESR1 (0.59) DGKAALDH1A1TDP1ESR1APP
SCHEMBL2603374 0.74 GAA (0.56) DGKAALDH1A1TDP1ESR1APP
SCHEMBL13509247 0.74 GAA (0.43) DGKAALDH1A1TDP1ESR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2059520-B1 1,4,5,6,7,8-HEXAHYDRO-I,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-02-24 EP disclosed
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
EP-2059520-A1 1,4,5,6, 7,8-HEXAHYDRO-I^1S-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-05-20 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
WO-2008026149-A1 1,4,5,6, 7,8-HEXAHYDRO-I^1S-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R DGKA 4288/4885ALDH1A1 1460/4885TDP1 4431/4885
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY5R DGKA 1593/4885ALDH1A1 698/4885TDP1 4576/4885

“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.