SCHEMBL585288

SCHEMBL585288

CCCCOC(=O)/C=C/c1cc(F)c(C)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.59
ATM Q13315 1/20 0.53
ALOX5 P09917 2/20 0.50
CYP3A4 P08684 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
ESR1 P03372 1/20 0.44
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL585289 1.00 APP (0.59) APPATMALOX5CYP3A4HCAR2
SCHEMBL4435467 0.94 TSHR (0.55) APPATMALOX5CYP3A4HCAR2
SCHEMBL4435462 0.94 TSHR (0.55) APPATMALOX5CYP3A4HCAR2
SCHEMBL585889 0.89 APP (0.59) APPATMALOX5CYP3A4HCAR2
SCHEMBL585888 0.89 APP (0.59) APPATMALOX5CYP3A4HCAR2
SCHEMBL584660 0.86 APP (0.56) APPATMALOX5LMNASMN1; SMN2
SCHEMBL584661 0.86 APP (0.56) APPATMALOX5LMNASMN1; SMN2
SCHEMBL584879 0.85 APP (0.55) APPATMALOX5CYP3A4HCAR2
SCHEMBL584880 0.85 APP (0.55) APPATMALOX5CYP3A4HCAR2
SCHEMBL6058723 0.84 APP (0.69) APPATMALOX5CYP3A4HCAR2

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 APP 1433/4885ATM 4876/4885ALOX5 650/4885
US-20100029617-A1 1,4,5,6,7,8-HEXAHYDRO-1,2,5-TRIAZA-AZULENE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY5R APP 801/4885ATM 4883/4885ALOX5 318/4885

“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.