SCHEMBL5546140

SCHEMBL5546140

CC(OC(=O)N1CCN(CCO[C]=O)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.47
▸ SLC6A4 P31645 3/20 0.44
▸ SLC6A3 Q01959 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41

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
SCHEMBL27610539 0.77 HRH2 (0.40) ALDH1A1HTTTSHRHRH2HRH1
SCHEMBL5543843 0.77 ENPP2 (0.55) GAAHRH2HRH1
SCHEMBL5697155 0.76 GRIN2B (0.55) GRIN2BKDM4EALDH1A1TSHRGAA
SCHEMBL23850127 0.76 GRIN2B (0.55) GRIN2BKDM4EHTTTSHRGAA
SCHEMBL5546142 0.76 OPRM1 (0.64) GRIN2BSLC6A3ALDH1A1TSHRHRH2
SCHEMBL30826821 0.75 GRIN2B (0.54) GRIN2BKDM4EALDH1A1TSHRGAA
SCHEMBL5539052 0.73 HRH2 (0.44) ALDH1A1HTTTSHRHRH2HRH1
SCHEMBL5539898 0.72 ALDH1A1 (0.46) ALDH1A1HTTTSHRHRH2HRH1
SCHEMBL4679033 0.72 GRIN2B (0.52) GRIN2BTSHRGAA
SCHEMBL5539298 0.72 ALDH1A1 (0.49) ALDH1A1HTTTSHRHRH2HRH1

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 GRIN2B 504/4885SLC6A4 4191/4885SLC6A3 1944/4885

“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.

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