SCHEMBL2826301

SCHEMBL2826301

CC(C)(C)OC(=O)N1CC(CNC(=O)OCc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.61
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
ABCB1 P08183 1/20 0.49
SYK P43405 1/20 0.47
ACKR3 P25106 1/20 0.47
MAPT P10636 3/20 0.47
BRD4 O60885 1/20 0.47
CYP2D6 P10635 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
CYP1A2 P05177 1/20 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
SCHEMBL12723099 0.91 KDM4E (0.60) NAMPTKDM4EPKMABCB1ACKR3
SCHEMBL3272146 0.91 KDM4E (0.60) NAMPTKDM4EPKMABCB1ACKR3
SCHEMBL19706814 0.91 KDM4E (0.60) NAMPTKDM4EPKMABCB1ACKR3
SCHEMBL31617924 0.91 NAMPT (0.56) NAMPTKDM4EPKMSYKMAPT
SCHEMBL12722658 0.89 ACKR3 (0.61) NAMPTKDM4EPKMACKR3HTR6
SCHEMBL1622524 0.89 ACKR3 (0.61) NAMPTKDM4EPKMACKR3HTR6
SCHEMBL12722612 0.89 ACKR3 (0.61) NAMPTKDM4EPKMACKR3HTR6
SCHEMBL24392263 0.89 NAMPT (0.51) NAMPTKDM4EPKMABCB1SYK
SCHEMBL1241067 0.89 KDM4E (0.69) KDM4EPKMCYP2D6CYP3A4NPC1
SCHEMBL3274653 0.88 NAMPT (0.47) NAMPTKDM4EPKMABCB1SYK

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 18 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-102143746-A CDK modulators EXELIXIS INC 2011-08-03 CN disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 CN disclosed
EP-1781669-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-13 EP disclosed
EP-1781669-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-13 EP disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
US-7655648-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
US-7655648-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
US-7655648-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
US-20070244091-A1 Antibacterial Agents GLAXO GROUP LIMITED, A CORPORATION 2007-10-18 US disclosed
US-20070244091-A1 Antibacterial Agents GLAXO GROUP LIMITED, A CORPORATION 2007-10-18 US disclosed
US-20070244091-A1 Antibacterial Agents GLAXO GROUP LIMITED, A CORPORATION 2007-10-18 US disclosed
EP-1781669-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-05-09 EP disclosed
WO-2006017468-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 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 (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-20070244091-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 NAMPT 164/4885KDM4E 4436/4885PKM 3911/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NAMPT 1750/4885KDM4E 211/4885PKM 375/4885

“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.