SCHEMBL5546413

SCHEMBL5546413

[CH2]CCCCC1CNc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.38
BCHE P06276 1/20 0.36
HDAC6 Q9UBN7 1/20 0.33
HRH2 P25021 1/20 0.32
OPRM1 P35372 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL5542142 0.98 CCKBR (0.37) CCKBRBCHEHDAC6HRH2OPRM1
SCHEMBL5539765 0.95 CCKBR (0.39) CCKBRBCHEHDAC6HRH2OPRM1
SCHEMBL5543945 0.88 CCKBR (0.40) CCKBRBCHEHRH2OPRM1HTR2B
SCHEMBL8523648 0.83 BCHE (0.47) CCKBRBCHE
SCHEMBL28756698 0.82 BCHE (0.46) CCKBRBCHE
SCHEMBL22582292 0.82 BCHE (0.46) CCKBRBCHE
SCHEMBL19149276 0.81 HTR2A (0.45) CCKBRBCHE
SCHEMBL7074697 0.81 BCHE (0.48) CCKBRBCHE
SCHEMBL6064249 0.81 BCHE (0.40) CCKBRBCHEHDAC6HRH2OPRM1
SCHEMBL31366241 0.81 CCKBR (0.39) CCKBRBCHEHDAC6OPRM1

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 CCKBR 1715/4885BCHE 4833/4885HDAC6 941/4885

“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.