SCHEMBL5546422

SCHEMBL5546422

C[C@@]1(COc2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.73
SLC6A2 P23975 2/20 0.72
SLC6A4 P31645 2/20 0.72
PTGS1 P23219 1/20 0.72
ENPP2 Q13822 5/20 0.47
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
HTR1A P08908 1/20 0.39
MAPT P10636 2/20 0.39
CHRM1 P11229 1/20 0.37
DEGS1 O15121 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
CACNA1G O43497 1/20 0.35

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
SCHEMBL5542362 1.00 KCNH2 (0.73) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL5535614 1.00 KCNH2 (0.73) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL5544338 0.94 PTGS1 (0.65) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL5534767 0.94 PTGS1 (0.65) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL5543862 0.94 PTGS1 (0.65) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL1755037 0.93 PTGS1 (0.70) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL2096278 0.93 PTGS1 (0.70) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL2090697 0.93 PTGS1 (0.70) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL1044030 0.92 PTGS1 (0.71) KCNH2SLC6A2SLC6A4PTGS1ENPP2
SCHEMBL5540819 0.92 PTGS1 (0.86) KCNH2SLC6A2SLC6A4PTGS1ENPP2

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 8 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 claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
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 3503/4885SLC6A2 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.