SCHEMBL5539804

SCHEMBL5539804

CCCCN1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
DRD2 P14416 6/20 0.55
DRD3 P35462 4/20 0.55
SIGMAR1 Q99720 3/20 0.54
KCNH2 Q12809 1/20 0.51
CYP2D6 P10635 1/20 0.47
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5542026 0.95 KDM4E (0.65) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL5542882 0.93 KDM4E (0.68) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL4576289 0.89 DRD2 (0.68) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL155128 0.82 SIGMAR1 (0.79) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL4576516 0.82 DRD2 (0.46) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL188197 0.82 CHRNA7 (0.66) KDM4EGAADRD2SIGMAR1DRD4
SCHEMBL10724890 0.79 GAA (0.62) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL14459608 0.79 KDM4E (0.88) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL29258877 0.79 KDM4E (0.69) KDM4EGAADRD2DRD3SIGMAR1
SCHEMBL8223307 0.79 KDM4E (0.62) KDM4EGAADRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103087122-A Preparation method and applications of glucoside compounds SHANGHAI INST ORGANIC CHEM 2013-05-08 CN claimed
CN-103087122-A Preparation method and applications of glucoside compounds SHANGHAI INST ORGANIC CHEM 2013-05-08 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KDM4E 4854/4885GAA 4165/4885DRD2 542/4885

“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.