SCHEMBL5543880

SCHEMBL5543880

CN(c1ccccc1)C1CCN(c2ccc([O])cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
NPY5R Q15761 1/20 0.40
RORC P51449 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MCHR1 Q99705 7/20 0.39
CYP3A4 P08684 3/20 0.39
USP2 O75604 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5540300 0.85 HRH1 (0.42) HRH1NPY5RRORCDRD2DRD3
SCHEMBL5543887 0.85 ME3 (0.48) HRH1NPY5RDRD2DRD3L3MBTL1
SCHEMBL5539924 0.80 L3MBTL3 (0.46) NPY5RRORCMCHR1USP2L3MBTL3
SCHEMBL5544049 0.80 HTR2A (0.39) CYP3A4USP2L3MBTL3L3MBTL1
SCHEMBL24782861 0.80 NOTUM (0.46) HRH1RORCDRD2DRD3MCHR1
SCHEMBL901151 0.75 HTR2A (0.54) HRH1DRD3
SCHEMBL1720308 0.74 HTT (0.41) HRH1DRD2DRD3
SCHEMBL21447979 0.73 L3MBTL3 (0.52) NPY5RRORCDRD2DRD3MCHR1
SCHEMBL5547166 0.73 SMN1; SMN2 (0.39) RORCMCHR1USP2L3MBTL3L3MBTL1
SCHEMBL2896994 0.73 L3MBTL3 (0.46) HRH1DRD2DRD3L3MBTL3

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 HRH1 668/4885NPY5R 3779/4885RORC 19/4885

“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.