SCHEMBL585017

SCHEMBL585017

CCCc1nc(I)cn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GFER P55789 1/20 0.43
DRD2 P14416 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.36
NQO2 P16083 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GAA P10253 1/20 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
SCHEMBL584572 0.90 ALDH1A1 (0.42) ALDH1A1GFERDRD2LMNAKDM4E
SCHEMBL585098 0.86 ALDH1A1 (0.40) ALDH1A1GFERDRD2LMNAKDM4E
SCHEMBL1570576 0.83 DRD2 (0.40) ALDH1A1GFERDRD2KMT2A
SCHEMBL585025 0.83 ALDH1A1 (0.41) ALDH1A1GFERDRD2HTTNPSR1
SCHEMBL21419146 0.81 DRD2 (0.44) ALDH1A1GFERDRD2LMNAKDM4E
SCHEMBL584894 0.80 AAK1 (0.39) ALDH1A1GFERDRD2LMNAKDM4E
SCHEMBL584618 0.78 ALDH1A1 (0.44) ALDH1A1GFERDRD2LMNAKDM4E
SCHEMBL1567661 0.78 EPHX1 (0.41) ALDH1A1GFERDRD2BCHESTK17B
SCHEMBL21419083 0.77 EPHX1 (0.40) ALDH1A1GFERDRD2BCHEKMT2A
SCHEMBL30875242 0.74 TDP1 (0.48) DRD2STK17BSTK17ATDP1

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 956/4885DRD2 214/4885

“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.