SCHEMBL585146

SCHEMBL585146

OCCCc1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
FFAR4 Q5NUL3 3/20 0.40
TNKS2 Q9H2K2 1/20 0.37
CA2 P00918 2/20 0.33
KIF11 P52732 1/20 0.33
NOTUM Q6P988 1/20 0.32
PPARA Q07869 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL24264686 0.80 DAO (0.45) DAOCA2
SCHEMBL7766811 0.80 DAO (0.45) DAO
SCHEMBL17284128 0.79 KIF11 (0.44) DAOKIF11CYP4A11
SCHEMBL584939 0.79 TNKS2 (0.41) FFAR4TNKS2CA2CYP4A11
SCHEMBL28202157 0.78 DAO (0.44) DAOFFAR4
SCHEMBL7766216 0.78 DAO (0.44) DAO
SCHEMBL24264754 0.78 HDAC3 (0.47) DAOFFAR4PPARA
SCHEMBL21357521 0.77 TNKS2 (0.48) FFAR4TNKS2CA2
SCHEMBL79124 0.76 KIF11 (0.56) DAOFFAR4CA2KIF11NOTUM
SCHEMBL24633632 0.75 DAO (0.47) DAO

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 DAO 910/4885FFAR4 191/4885TNKS2 4817/4885

“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.