SCHEMBL584610

SCHEMBL584610

COc1cc(F)c(CCCO)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.45
CA2 P00918 1/20 0.41
HMGCR P04035 1/20 0.37
HTR1A P08908 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5 P09917 4/20 0.36
HTR2B P41595 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS2 P35354 3/20 0.35

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
SCHEMBL31295158 0.87 TNKS2 (0.46) TNKS2CA2HMGCRHTR2B
SCHEMBL2851477 0.81 PDE4A (0.50) HMGCRHTR1AMTNR1AMTNR1BPDE4A
SCHEMBL20969693 0.79 TAAR1 (0.53) HTR2B
SCHEMBL5234178 0.78 CA2 (0.49) CA2
SCHEMBL28154665 0.77 HTR2B (0.43) HTR1AMTNR1AMTNR1BALOX5HTR2B
SCHEMBL2315500 0.76 POLB (0.50) LMNAMAPK1HTTRAB9A
SCHEMBL17006155 0.76 TAAR1 (0.44) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL29138541 0.75 SLC6A2 (0.51) TNKS2MTNR1AMTNR1B
SCHEMBL30669668 0.75 SLC6A2 (0.51) TNKS2MTNR1AMTNR1B
SCHEMBL11919300 0.75 TAAR1 (0.47) HMGCRMTNR1AMTNR1BHTR2BLMNA

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 TNKS2 4817/4885CA2 672/4885HMGCR 2170/4885

“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.