SCHEMBL5536822

SCHEMBL5536822

CN(C[C@](C)(O)Cn1cc([N+](=O)[O-])nc1Cl)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CHRM4 P08173 7/20 0.39
KCNH2 Q12809 5/20 0.39
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTR2A P28223 1/20 0.34
MAPT P10636 1/20 0.34
DDR1 Q08345 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5536827 1.00 PTGS1 (0.46) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL5535342 0.90 SERPINE1 (0.38) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL5535348 0.90 SERPINE1 (0.38) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL5539485 0.89 KMT2A (0.38) PTGS1SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL5539491 0.89 KMT2A (0.38) PTGS1SLC6A2SLC6A4KCNH2CYP3A4
SCHEMBL5540765 0.85 CYP3A4 (0.34) PTGS1SLC6A2SLC6A4CHRM4CYP3A4
SCHEMBL5540771 0.85 CYP3A4 (0.34) PTGS1SLC6A2SLC6A4CHRM4CYP3A4
SCHEMBL58326 0.84 PTGS1 (0.44) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL58327 0.84 PTGS1 (0.44) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL2951490 0.83 PTGS1 (0.57) PTGS1SLC6A2SLC6A4CHRM4KCNH2

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 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.