SCHEMBL5547182

SCHEMBL5547182

CN(C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1)C1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
KCNH2 Q12809 5/20 0.45
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
LSS P48449 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPY5R Q15761 1/20 0.32
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5546646 0.90 PTGS1 (0.57) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5541795 0.89 PTGS1 (0.52) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5540688 0.87 PTGS1 (0.71) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL1045059 0.83 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5544101 0.83 KCNH2 (0.43) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL2088990 0.83 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL1045057 0.83 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
Hydrochloric Acid SCHEMBL5016243 0.82 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5540325 0.82 KCNH2 (0.51) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5542644 0.82 KCNH2 (0.51) PTGS1SLC6A2SLC6A4KCNH2CACNA1C

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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.