SCHEMBL5537159

SCHEMBL5537159

C[C@]1(CN2CCC(OCCc3ccc(C(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 6/20 0.49
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
CHRM1 P11229 1/20 0.39
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
DRD4 P21917 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
DRD3 P35462 2/20 0.32
SLC2A1 P11166 1/20 0.31
OPRK1 P41145 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL5537165 1.00 PTGS1 (0.49) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5543720 0.92 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5543725 0.92 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5536713 0.90 KCNH2 (0.47) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5536722 0.90 KCNH2 (0.47) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5535213 0.87 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5542567 0.87 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5535209 0.87 PTGS1 (0.63) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5535579 0.86 KCNH2 (0.50) PTGS1SLC6A2SLC6A4KCNH2CACNA1C
SCHEMBL5547600 0.86 PTGS1 (0.45) 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.