SCHEMBL2822893

SCHEMBL2822893

CC(C)OC1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.40
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1H2 P55055 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL29959011 0.84 USP2 (0.41) PDK4USP2SMN1; SMN2ESR2GPR119
SCHEMBL2397005 0.84 USP2 (0.41) PDK4USP2SMN1; SMN2ESR2GPR119
SCHEMBL28278134 0.82 USP2 (0.40) PDK4USP2SMN1; SMN2ESR2GPR119
SCHEMBL2826934 0.81 NR1H2 (0.40) PDK4USP2SMN1; SMN2ESR2GPR119
SCHEMBL6573295 0.80 MAPT (0.42) PDK4HTTUSP2SMN1; SMN2ESR2
SCHEMBL166445 0.80 USP2 (0.42) USP2SMN1; SMN2ESR2GPR119MAPT
SCHEMBL24458740 0.78 USP2 (0.40) PDK4USP2SMN1; SMN2ESR2GPR119
SCHEMBL28663776 0.78 NR1H2 (0.39) PDK4USP2SMN1; SMN2ESR2GPR119
SCHEMBL21241481 0.78 USP2 (0.44) USP2SMN1; SMN2ESR2GPR119MAPT
SCHEMBL12908934 0.78 USP2 (0.44) PDK4USP2SMN1; SMN2ESR2GPR119

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 CN disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PDK4 607/4885HTT 4384/4885ATM 580/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A PDK4 237/4885HTT 4571/4885ATM 1655/4885

“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.