SCHEMBL5544590

SCHEMBL5544590

[CH2]c1ccc2c(c1)CCC(=O)N2CCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.56
CHRM2 P08172 8/20 0.56
CHRM4 P08173 8/20 0.56
CHRM5 P08912 8/20 0.56
DRD2 P14416 8/20 0.56
CHRM3 P20309 8/20 0.56
DRD4 P21917 8/20 0.56
DRD3 P35462 8/20 0.56
ATAD2 Q6PL18 1/20 0.50
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5542098 0.96 CHRM1 (0.52) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5537268 0.94 CHRM1 (0.51) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5539807 0.91 ATAD2 (0.52) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5534846 0.85 ATAD2 (0.68) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5544599 0.84 DRD2 (0.58) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5542111 0.80 DRD2 (0.53) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL6200847 0.79 DRD2 (0.84) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5537272 0.79 DRD2 (0.52) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL14049826 0.79 GRIN1 (0.57) CHRM1CHRM2CHRM4CHRM5DRD2
SCHEMBL5543650 0.77 CYP11B2 (0.51) ATAD2CYP1A2CYP11B1CYP11B2CYP19A1

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 CHRM1 463/4885CHRM2 862/4885CHRM4 962/4885

“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.