SCHEMBL5546747

SCHEMBL5546747

Oc1ccc(N2CCN(CCCCc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
HTR2A P28223 3/20 0.53
DRD2 P14416 3/20 0.53
HTR1A P08908 2/20 0.53
DRD3 P35462 2/20 0.53
TMEM97 Q5BJF2 2/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
GRM2 Q14416 1/20 0.49
HTR2C P28335 2/20 0.49
HRH1 P35367 1/20 0.49
HTR7 P34969 1/20 0.49
SLC6A4 P31645 4/20 0.47
DRD4 P21917 2/20 0.47
CHRM4 P08173 1/20 0.47
SLC6A3 Q01959 3/20 0.46
HTR2B P41595 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
SCHEMBL5540600 0.99 SIGMAR1 (0.52) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5544228 0.99 SIGMAR1 (0.52) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5540165 0.96 ALDH1A1 (0.54) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5540053 0.91 ALDH1A1 (0.50) SIGMAR1DRD2HTR1AALDH1A1GAA
SCHEMBL5546743 0.88 SIGMAR1 (0.53) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5544222 0.87 SIGMAR1 (0.52) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5540593 0.87 SIGMAR1 (0.52) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5540158 0.84 SIGMAR1 (0.50) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5539612 0.84 SIGMAR1 (0.58) SIGMAR1HTR2ADRD2HTR1ADRD3
SCHEMBL5534516 0.84 ALDH1A1 (0.62) DRD2DRD3ALDH1A1GAAMAPT

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 SIGMAR1 234/4885HTR2A 4120/4885DRD2 542/4885

“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.