SCHEMBL584892

SCHEMBL584892

CC(C)c1nc(I)c(I)n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.38
BCHE P06276 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NQO2 P16083 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 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
SCHEMBL585670 0.84 ALDH1A1 (0.43) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL584826 0.83 HTT (0.43) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL21419087 0.82 DRD2 (0.43) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL585827 0.81 ALDH1A1 (0.43) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL585994 0.79 ALDH1A1 (0.42) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL584618 0.79 ALDH1A1 (0.44) ALDH1A1GFERMEN1KMT2ADRD2
SCHEMBL1569056 0.78 DRD2 (0.40) ALDH1A1GFERDRD2TDP1HTT
SCHEMBL584894 0.78 AAK1 (0.39) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL21419079 0.76 EPHX1 (0.41) ALDH1A1GFERKMT2ADRD2TDP1
SCHEMBL1568100 0.76 GFER (0.40) ALDH1A1GFERDRD2KDM4ELMNA

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 956/4885MEN1 1568/4885

“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.