SCHEMBL5542876

SCHEMBL5542876

Oc1cccc(CCCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.69
OPRM1 P35372 10/20 0.62
OPRD1 P41143 9/20 0.62
DRD2 P14416 6/20 0.61
DRD1 P21728 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
DRD3 P35462 5/20 0.60
CALM1 P0DP23 1/20 0.57
IGF1R P08069 1/20 0.57
ALOX15 P16050 1/20 0.57
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
MGLL Q99685 1/20 0.54
HTR7 P34969 1/20 0.54

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
SCHEMBL5544469 0.96 OPRK1 (0.69) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL5537554 0.94 OPRK1 (0.67) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL5542136 0.94 OPRK1 (0.67) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL28352345 0.94 OPRK1 (0.67) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL966461 0.93 CALM1 (0.64) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL31674607 0.93 DRD2 (0.68) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL28368586 0.93 DRD2 (0.68) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL2323457 0.91 DRD2 (0.65) OPRK1OPRM1OPRD1DRD2DRD1
3-Phenethylphenol SCHEMBL717571 0.91 OPRK1 (0.74) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL4949943 0.89 DRD2 (0.63) OPRK1OPRM1OPRD1DRD2DRD1

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 9 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
CN-101917980-B Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2013-12-11 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-101917980-A Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-12-15 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 OPRK1 660/4885OPRM1 518/4885OPRD1 159/4885

“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.