SCHEMBL5544599

SCHEMBL5544599

CCCCN1C(=O)CCc2cc(C)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.58
DRD4 P21917 7/20 0.58
DRD3 P35462 7/20 0.58
CHRM1 P11229 6/20 0.58
CHRM2 P08172 5/20 0.58
CHRM4 P08173 5/20 0.58
CHRM5 P08912 5/20 0.58
CHRM3 P20309 5/20 0.58
ATAD2 Q6PL18 1/20 0.51
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SRD5A1 P18405 3/20 0.43

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
SCHEMBL5542111 0.96 DRD2 (0.53) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5537272 0.94 DRD2 (0.52) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5539818 0.91 ATAD2 (0.54) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL4100824 0.87 GRIN1 (0.49) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL1763836 0.86 GRIN1 (0.51) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL435242 0.84 ATAD2 (0.69) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL5544590 0.84 CHRM1 (0.56) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL8005017 0.84 ATAD2 (0.49) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL4103777 0.83 CHRM1 (0.75) DRD2DRD4DRD3CHRM1CHRM2
SCHEMBL27619331 0.81 DRD2 (0.51) DRD2DRD4DRD3CHRM1CHRM2

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.