SCHEMBL584939

SCHEMBL584939

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.41
CA2 P00918 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
CYP4A11 Q02928 3/20 0.33
MAOB P27338 1/20 0.33
RIPK1 Q13546 1/20 0.33
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP3A4 P08684 1/20 0.31
PTGS2 P35354 1/20 0.31
BCHE P06276 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL1240699 0.85 TDP1 (0.40) CA2CES2CES1CYP4A11MAOB
SCHEMBL21357521 0.84 TNKS2 (0.48) TNKS2CA2FFAR4CYP3A4PTGS2
SCHEMBL17791528 0.82 PTGS2 (0.38) CES2CES1MAOBRIPK1CYP3A4
SCHEMBL584320 0.82 TNKS2 (0.39) TNKS2CA2FFAR4CYP4A11LTA4H
SCHEMBL38659514 0.82 TNKS2 (0.39) TNKS2CA2FFAR4CYP4A11LTA4H
SCHEMBL584236 0.82 TNKS2 (0.43) TNKS2CA2FFAR4CYP4A11CYP4F2
SCHEMBL15725301 0.80 RARB (0.44) CA2CYP4A11MAOBLTA4HEPHX2
SCHEMBL16105773 0.79 CES2 (0.39) CA2CES2CES1MAOBRIPK1
SCHEMBL13267737 0.79 TNKS2 (0.50) TNKS2CA2CYP4A11LTA4HEPHX2
SCHEMBL585146 0.79 DAO (0.45) TNKS2CA2FFAR4CYP4A11

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-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
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 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 TNKS2 4817/4885CA2 672/4885CES2 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.