SCHEMBL5536607

SCHEMBL5536607

Oc1ccc(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.59
DRD2 P14416 4/20 0.54
DRD3 P35462 2/20 0.54
CHRM4 P08173 7/20 0.50
DRD1 P21728 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5540629 0.91 DRD4 (0.56) DRD4DRD2DRD3CHRM4ITGB3
SCHEMBL5536602 0.88 DRD2 (0.54) DRD4DRD2DRD3CHRM4DRD1
SCHEMBL5534516 0.85 ALDH1A1 (0.62) DRD4DRD2DRD3CHRM4CHRM2
SCHEMBL28802676 0.84 SIGMAR1 (0.66) DRD4DRD2DRD3MAPTTSHR
SCHEMBL5541643 0.81 DRD4 (0.63) DRD4DRD2DRD3MAPTKDM4E
SCHEMBL2089673 0.81 CHRM4 (0.48) CHRM4CHRM2CHRM1
SCHEMBL19206068 0.80 ALDH1A1 (0.59) DRD4DRD2TSHRKDM4EALDH1A1
SCHEMBL5534605 0.79 DRD4 (0.68) DRD4DRD2DRD3MAPTTSHR
SCHEMBL5536579 0.79 DRD4 (0.60) DRD4DRD2DRD3ITGB3ITGA2B
SCHEMBL30341053 0.79 ALDH1A1 (0.61) DRD4DRD2KDM4EALDH1A1OPRM1

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 DRD4 368/4885DRD2 542/4885DRD3 132/4885

“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.