SCHEMBL5536602

SCHEMBL5536602

[O]c1ccc(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 1/20 0.54
CHRM4 P08173 7/20 0.50
DRD1 P21728 1/20 0.48
OPRM1 P35372 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
CHRM3 P20309 1/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ABL1 P00519 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL5540624 0.91 DRD4 (0.52) DRD2DRD4DRD3CHRM4OPRM1
SCHEMBL5536607 0.88 DRD4 (0.59) DRD2DRD4DRD3CHRM4DRD1
SCHEMBL5543182 0.85 ALDH1A1 (0.62) DRD2DRD4DRD3CHRM4CHRM2
SCHEMBL5541635 0.81 KDM4E (0.62) MAPTTSHRKDM4EALDH1A1
SCHEMBL19206068 0.80 ALDH1A1 (0.59) DRD2DRD4OPRM1CHRM3TSHR
SCHEMBL5534599 0.79 ALDH1A1 (0.60) DRD2DRD4DRD3MAPTTSHR
SCHEMBL5536574 0.79 KDM4E (0.49) DRD2DRD4DRD3ITGB3ITGA2B
SCHEMBL30341053 0.79 ALDH1A1 (0.61) DRD2DRD4OPRM1CHRM3KDM4E
SCHEMBL5540629 0.79 DRD4 (0.56) DRD2DRD4DRD3CHRM4ITGB3
SCHEMBL2932104 0.78 MGLL (0.57) DRD2DRD4CHRM4OPRM1CHRM3

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 DRD2 542/4885DRD4 368/4885DRD3 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.