SCHEMBL5541513

SCHEMBL5541513

C[C@]1(CN2CCN(C(=O)CCCc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
HRH3 Q9Y5N1 2/20 0.41
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALOX5 P09917 4/20 0.36

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
SCHEMBL5541523 1.00 KCNH2 (0.46) KCNH2CACNA1CSCN5AHRH3PTGS1
SCHEMBL5544750 0.90 KCNH2 (0.49) KCNH2CACNA1CSCN5AHRH3PTGS1
SCHEMBL5539056 0.90 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5539049 0.90 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5538846 0.87 KCNH2 (0.46) KCNH2CACNA1CSCN5AHRH3PTGS1
SCHEMBL5538852 0.87 KCNH2 (0.46) KCNH2CACNA1CSCN5AHRH3PTGS1
SCHEMBL5543497 0.85 KCNH2 (0.50) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5540156 0.85 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542008 0.85 KCNH2 (0.50) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542067 0.85 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2

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 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.