SCHEMBL584618

SCHEMBL584618

CCCc1nc(I)c(I)n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GFER P55789 1/20 0.44
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 2/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 1/20 0.37
NQO2 P16083 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL585827 0.90 ALDH1A1 (0.43) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL585994 0.85 ALDH1A1 (0.42) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL585670 0.83 ALDH1A1 (0.43) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL1568100 0.82 GFER (0.40) ALDH1A1GFERHTTLMNADRD2
SCHEMBL584826 0.82 HTT (0.43) ALDH1A1GFERHTTMEN1KMT2A
SCHEMBL21419087 0.81 DRD2 (0.43) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL19181354 0.80 MEN1 (0.40) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL584892 0.79 ALDH1A1 (0.40) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL585017 0.78 ALDH1A1 (0.43) ALDH1A1GFERHTTLMNAMEN1
SCHEMBL1301858 0.78 ALDH1A1 (0.37) ALDH1A1GFERHTTLMNAMEN1

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 ALDH1A1 1460/4885GFER 956/4885HTT 1185/4885

“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.