SCHEMBL5546337

SCHEMBL5546337

CC1(CN2CCN(C3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.59
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
CHRM1 P11229 1/20 0.41
LSS P48449 1/20 0.39
HSD11B1 P28845 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK7 Q13164 5/20 0.37
ACHE P22303 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL5546331 1.00 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5547203 0.97 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5547198 0.97 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010635 0.89 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5546652 0.88 PTGS1 (0.69) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5546658 0.88 PTGS1 (0.69) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539131 0.88 KCNH2 (0.43) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5539135 0.88 KCNH2 (0.43) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5534366 0.87 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5537322 0.87 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 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.