SCHEMBL5541933

SCHEMBL5541933

CC1(CN2CCN(CCCn3c(=O)oc4ccccc43)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL5542610 0.88 ALDH1A1 (0.46) HTR1AHTR7KCNH2CACNA1CSCN5A
SCHEMBL5535446 0.88 KCNH2 (0.46) KCNH2CACNA1CSCN5A
SCHEMBL5539679 0.88 KCNH2 (0.48) KCNH2CACNA1CSCN5A
SCHEMBL5540170 0.86 KCNH2 (0.47) KCNH2CACNA1CSCN5A
SCHEMBL6425410 0.86 HTR1A (0.45) HTR1AHTR7
SCHEMBL5536569 0.77 KCNH2 (0.46) KCNH2CACNA1CSCN5A
SCHEMBL5539501 0.77 KCNH2 (0.47) KCNH2CACNA1CSCN5A
SCHEMBL5539075 0.76 KCNH2 (0.49) KCNH2CACNA1CSCN5A
SCHEMBL5535135 0.76 KCNH2 (0.52) KCNH2CACNA1CSCN5A
SCHEMBL5541409 0.76 KCNH2 (0.46) KCNH2CACNA1CSCN5A

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 HTR1A 4141/4885HTR7 3656/4885KCNH2 3503/4885

“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.