SCHEMBL5544094

SCHEMBL5544094

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
NR1D1 P20393 2/20 0.35
NR1H3 Q13133 1/20 0.35
NR1D2 Q14995 1/20 0.35
FAAH O00519 1/20 0.35
ENPP2 Q13822 2/20 0.35
ATXN2 Q99700 1/20 0.35
GRIN2B Q13224 6/20 0.35
TRPC3 Q13507 1/20 0.33
TRPC7 Q9HCX4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL5544106 1.00 KCNH2 (0.38) KCNH2PTGS1SLC6A2SLC6A4NR1D1
SCHEMBL5537822 0.91 KCNH2 (0.41) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5546318 0.91 KCNH2 (0.41) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5543920 0.89 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5543928 0.89 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4ENPP2
SCHEMBL5544320 0.83 KCNH2 (0.40) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL5544330 0.83 KCNH2 (0.40) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL5547184 0.82 PTGS1 (0.45) KCNH2PTGS1SLC6A2SLC6A4KDM4E
SCHEMBL5547175 0.82 PTGS1 (0.45) KCNH2PTGS1SLC6A2SLC6A4KDM4E
SCHEMBL5544101 0.80 KCNH2 (0.43) KCNH2PTGS1SLC6A2SLC6A4NR1D1

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.