SCHEMBL5546142

SCHEMBL5546142

O=[C]OCCN1CCN(C(=O)OCCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.64
▸ HTR2A P28223 4/20 0.64
▸ HRH1 P35367 4/20 0.64
▸ HTR1A P08908 3/20 0.64
▸ DRD4 P21917 3/20 0.64
▸ SIGMAR1 Q99720 5/20 0.59
▸ ADORA3 P0DMS8 3/20 0.59
▸ HTR7 P34969 3/20 0.59
▸ HRH2 P25021 3/20 0.52
▸ CACNA1F O60840 2/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ DRD5 P21918 2/20 0.52
▸ ADRA1D P25100 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ ADRA1B P35368 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ HTR6 P50406 2/20 0.52
▸ CACNA1D Q01668 2/20 0.52
▸ SLC6A3 Q01959 2/20 0.52
▸ CACNA1S Q13698 2/20 0.52

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
SCHEMBL5543843 0.89 ENPP2 (0.55) OPRM1HTR2AHRH1HTR1ADRD4
SCHEMBL5546144 0.82 OPRM1 (0.60) OPRM1HTR2AHRH1HTR1ADRD4
SCHEMBL7357267 0.80 OPRM1 (0.57) OPRM1HTR2AHRH1HTR1ADRD4
SCHEMBL5697159 0.78 NPC1 (0.58) OPRM1HTR2AHRH1HTR1ADRD4
SCHEMBL5539898 0.77 ALDH1A1 (0.46) OPRM1HTR2AHRH1SIGMAR1ADORA3
SCHEMBL5539298 0.77 ALDH1A1 (0.49) HRH1HRH2KMT2ATSHRALDH1A1
SCHEMBL7357273 0.76 OPRM1 (0.55) OPRM1HTR2AHRH1HTR1ADRD4
SCHEMBL5546140 0.76 GRIN2B (0.47) HRH1HRH2SLC6A3GRIN2BTSHR
SCHEMBL28015674 0.75 HRH2 (0.54) OPRM1HTR2AHRH1SIGMAR1ADORA3
SCHEMBL314343 0.74 MC4R (0.60) OPRM1HTR2AHRH1HTR1ADRD4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 — — CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 — — CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN 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 OPRM1 518/4885HTR2A 4120/4885HRH1 668/4885

“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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