SCHEMBL585543

SCHEMBL585543

OCCCc1cc(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
RIPK1 Q13546 8/20 0.40
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
EPAS1 Q99814 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL1967720 0.87 RIPK1 (0.42) RIPK1CES2CES1
SCHEMBL12474329 0.79 RIPK1 (0.37) RIPK1CES2CES1NOS1
SCHEMBL698821 0.78 RIPK1 (0.44) RIPK1CES2CES1
SCHEMBL29518822 0.78 RIPK1 (0.44) RIPK1CES2CES1
SCHEMBL6287101 0.78 MPO (0.45) RIPK1NOS1
SCHEMBL26308365 0.77 F13A1 (0.46) RIPK1CES2CES1
SCHEMBL16791980 0.76 ERN1 (0.37) CA2RIPK1TNKS2
SCHEMBL13692276 0.76 TAAR1 (0.43) RIPK1CES2CES1NOS1
SCHEMBL79271 0.75 CA2 (0.57) CA2RIPK1CES2CES1
SCHEMBL2338933 0.75 CA2 (0.45) CA2RIPK1CES2CES1

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 CA2 672/4885RIPK1 3574/4885CES2 1167/4885

“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.