SCHEMBL5536058

SCHEMBL5536058

[O]c1ccc(N2CCN(CCCc3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 2/20 0.54
SIGMAR1 Q99720 6/20 0.54
DRD2 P14416 5/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
DRD3 P35462 3/20 0.53
DRD4 P21917 2/20 0.53
TMEM97 Q5BJF2 2/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
CETP P11597 1/20 0.49
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5539608 0.96 SIGMAR1 (0.58) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5541921 0.95 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5537510 0.95 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5547207 0.92 ADRA1D (0.65) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5536064 0.87 ME2 (0.58) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5540158 0.84 SIGMAR1 (0.50) SLC6A4SIGMAR1DRD2HTR1AHTR2A
SCHEMBL5534994 0.83 PPARD (0.61) ADRA1DADRA1AADRA1BDRD4ALDH1A1
SCHEMBL5539612 0.83 SIGMAR1 (0.58) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5541926 0.82 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BSLC6A4SLC6A2
SCHEMBL5537517 0.82 SIGMAR1 (0.57) ADRA1DADRA1AADRA1BSLC6A4SLC6A2

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 ADRA1D 320/4885ADRA1A 326/4885ADRA1B 267/4885

“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.