SCHEMBL5880214

SCHEMBL5880214

COC(=O)c1cnc2c(n1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 1/20 0.40
SPR P35270 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 1/20 0.38
PARP1 P09874 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL4137212 0.82 KDM4E (0.48) MAPK1KDM4EALDH1A1HPGDNPC1
SCHEMBL11082225 0.80 NPC1 (0.35) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL10209172 0.80 CHRM3 (0.40) MAPK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5880232 0.78 ALOX15 (0.44) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10224440 0.76 ENPP2 (0.41) MAPK1KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL5053548 0.75 KDM4E (0.46) MAPK1KDM4EALDH1A1HPGDNPC1
SCHEMBL11081705 0.75 CYP1A2 (0.41) MAPK1KDM4EALDH1A1HPGDNPC1
SCHEMBL10209168 0.72 SLC6A15 (0.41) KDM4EALDH1A1RAB9AKMT2AMAPT
SCHEMBL68869 0.72 MAPK1 (0.63) MAPK1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13350435 0.72 PTGER4 (0.47) MAPK1KDM4EALDH1A1HPGDNPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006516628-A 2006-07-06 JP claimed
EP-1587796-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS AstraZeneca AB (SE) 2005-10-26 EP claimed
US-20050004130-A1 New metabotropic glutamate receptor compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004069813-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
EP-1587796-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS AstraZeneca AB (SE) 2005-10-26 EP disclosed
US-20050004130-A1 New metabotropic glutamate receptor compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004069813-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2004-08-19 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-20050004130-A1 New metabotropic glutamate receptor compounds GRM1, GRIN1, GRM2 MAPK1 1457/4885KDM4E 3065/4885ALDH1A1 2539/4885

“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.