SCHEMBL5544101

SCHEMBL5544101

CN(C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1)C1CCN(C(=O)OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
NR1D1 P20393 3/20 0.36
NR1H3 Q13133 1/20 0.36
NR1D2 Q14995 1/20 0.36
ENPP2 Q13822 5/20 0.36
ATXN2 Q99700 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35
GRIN2B Q13224 2/20 0.35
CHRM1 P11229 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 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
SCHEMBL5537825 0.91 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5543924 0.89 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5544324 0.83 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5547182 0.83 PTGS1 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5534639 0.82 KCNH2 (0.44) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5544094 0.80 KCNH2 (0.38) KCNH2PTGS1SLC6A2SLC6A4NR1D1
SCHEMBL5544106 0.80 KCNH2 (0.38) KCNH2PTGS1SLC6A2SLC6A4NR1D1
SCHEMBL6010695 0.80 PTGS1 (0.57) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5536898 0.79 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5536901 0.79 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.