SCHEMBL5542136

SCHEMBL5542136

Oc1cccc(CCCCCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.67
MGLL Q99685 1/20 0.62
OPRM1 P35372 7/20 0.61
OPRD1 P41143 7/20 0.61
IGF1R P08069 1/20 0.60
ALOX15 P16050 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
DRD2 P14416 5/20 0.59
DRD3 P35462 4/20 0.59
DRD1 P21728 1/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HTR7 P34969 1/20 0.56

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
SCHEMBL28352345 1.00 OPRK1 (0.67) OPRK1MGLLOPRM1OPRD1IGF1R
SCHEMBL5537554 1.00 OPRK1 (0.67) OPRK1MGLLOPRM1OPRD1IGF1R
SCHEMBL5544469 0.98 OPRK1 (0.69) OPRK1MGLLOPRM1OPRD1IGF1R
SCHEMBL5542876 0.94 OPRK1 (0.69) OPRK1MGLLOPRM1OPRD1IGF1R
SCHEMBL26548204 0.94 MGLL (0.68) OPRK1MGLLOPRM1OPRD1ALOX15
SCHEMBL21002079 0.94 MGLL (0.68) OPRK1MGLLOPRM1OPRD1ALOX15
SCHEMBL8398287 0.94 MGLL (0.68) OPRK1MGLLOPRM1OPRD1ALOX15
SCHEMBL11232474 0.91 DRD2 (0.68) OPRK1MGLLOPRM1OPRD1ALOX15
3-Phenethylphenol SCHEMBL717571 0.89 OPRK1 (0.74) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL3312922 0.88 CBS (0.62) OPRK1MGLLOPRM1OPRD1IGF1R

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 7 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
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 OPRK1 660/4885MGLL 4717/4885OPRM1 518/4885

“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.