SCHEMBL5541555

SCHEMBL5541555

CC(C)(C)OC(=O)N1CCN(CCC2(C)Cn3cc([N+](=O)[O-])nc3O2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
ACKR3 P25106 5/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR119 Q8TDV5 1/20 0.34
TLR8 Q9NR97 1/20 0.34
PIK3CD O00329 1/20 0.34
GPR4 P46093 1/20 0.33

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
SCHEMBL5541661 0.95 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL6010591 0.91 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL3466176 0.91 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL6010660 0.91 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5537949 0.89 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL6010742 0.88 KCNH2 (0.46) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5543139 0.88 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5543143 0.88 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL5537871 0.85 KCNH2 (0.42) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1
SCHEMBL3465287 0.83 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.