SCHEMBL584558

SCHEMBL584558

CCCCOC(=O)/C=C/c1cc(F)c(C(F)(F)F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.48
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 3/20 0.43
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL584559 1.00 APP (0.48) APPATMHCAR2MAOBMAPT
SCHEMBL1567688 0.81 APP (0.47) APPATMHCAR2MAOBMAPT
SCHEMBL1567687 0.81 APP (0.47) APPATMHCAR2MAOBMAPT
SCHEMBL585756 0.81 ALOX5 (0.50) APPATMHCAR2ALOX5HPGD
SCHEMBL585757 0.81 ALOX5 (0.50) APPATMHCAR2ALOX5HPGD
SCHEMBL6792876 0.79 APP (0.53) APPATMHCAR2MAPTRAB9A
SCHEMBL6792878 0.79 APP (0.53) APPATMHCAR2MAPTRAB9A
SCHEMBL584880 0.78 APP (0.55) APPATMHCAR2ALOX5HPGD
SCHEMBL584879 0.78 APP (0.55) APPATMHCAR2ALOX5HPGD
SCHEMBL8942198 0.76 APP (0.50) APPATMHCAR2MAPTRAB9A

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-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-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 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

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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R APP 1433/4885ATM 4876/4885HCAR2 60/4885

“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.