SCHEMBL2851467

SCHEMBL2851467

CC(C)(C)OC(=O)N1CCC(N)C(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD11B1 P28845 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
STS P08842 1/20 0.48
CPB1 P15086 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE4B Q07343 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
DPP4 P27487 2/20 0.46
KCNH2 Q12809 2/20 0.46

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
SCHEMBL2851466 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL28702705 0.93 HSD11B1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL16667924 0.93 HSD11B1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL5435529 0.93 HSD11B1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL2845315 0.93 HSD11B1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL2845311 0.93 HSD11B1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL14911483 0.92 PDE4B (0.56) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL16164661 0.92 PDE4B (0.56) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL29492127 0.91 HSD11B1 (0.50) NPC1RAB9ASMN1; SMN2HSD11B1JAK2
SCHEMBL20479857 0.90 PDE4B (0.49) NPC1RAB9ASMN1; SMN2STSCPB1

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 6 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
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 NPC1 1573/4885RAB9A 2042/4885SMN1; SMN2 4001/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NPC1 630/4885RAB9A 2487/4885SMN1; SMN2 3604/4885

“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.