SCHEMBL5540044

SCHEMBL5540044

[O]c1ccc(N2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 4/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
ACHE P22303 1/20 0.47
ADRA1D P25100 4/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1B P35368 4/20 0.47
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5540158 0.93 SIGMAR1 (0.50) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL5546743 0.91 SIGMAR1 (0.53) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL5544222 0.90 SIGMAR1 (0.52) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL5540593 0.90 SIGMAR1 (0.52) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL5540053 0.87 ALDH1A1 (0.50) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL5543182 0.87 ALDH1A1 (0.62) ALDH1A1DRD2ACHETSHRMAPT
SCHEMBL5547207 0.83 ADRA1D (0.65) ALDH1A1SLC6A4HTR1ADRD2ADRA1D
SCHEMBL5540165 0.80 ALDH1A1 (0.54) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL2093175 0.79 ALDH1A1 (0.50) ALDH1A1SLC6A4SLC6A3HTR1ADRD2
SCHEMBL4626311 0.79 ALDH1A1 (0.75) ALDH1A1SLC6A4SLC6A3ACHETSHR

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 ALDH1A1 355/4885SLC6A4 4191/4885SLC6A3 1944/4885

“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.