SCHEMBL584894

SCHEMBL584894

CC(C)c1nc(I)cn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
BRD4 O60885 2/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL585025 0.84 ALDH1A1 (0.41) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL21419146 0.82 DRD2 (0.44) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL584572 0.81 ALDH1A1 (0.42) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL585098 0.80 ALDH1A1 (0.40) ALDH1A1GFERDRD2KDM4ELMNA
SCHEMBL585017 0.80 ALDH1A1 (0.43) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL1567661 0.79 EPHX1 (0.41) ALDH1A1GFERDRD2BCHESTK17B
SCHEMBL21419083 0.78 EPHX1 (0.40) ALDH1A1GFERKMT2ADRD2BCHE
SCHEMBL27750596 0.78 SMN1; SMN2 (0.52) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL584892 0.78 ALDH1A1 (0.40) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL1570576 0.77 DRD2 (0.40) ALDH1A1GFERKMT2ADRD2EPHX1

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 AAK1 4149/4885ALDH1A1 1460/4885GFER 956/4885

“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.