SCHEMBL5548253

SCHEMBL5548253

[CH2]CN(C)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MAPT P10636 1/20 0.48
HTR7 P34969 1/20 0.43
AOC3 Q16853 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PYCR1 P32322 1/20 0.38
CHKA P35790 1/20 0.37

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
SCHEMBL5541745 0.85 MAPT (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5542642 0.82 HTR7 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6721319 0.82 TAAR1 (0.51) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11446856 0.78 MAPT (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10445122 0.77 HTR3E (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20893099 0.77 TAAR1 (0.48) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29636353 0.76 HTR3E (0.57) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL60096 0.76 HTR3E (0.57) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5543014 0.76 HTR7 (0.43) TAAR1HTR7AOC3SLC6A2SLC6A4
SCHEMBL11135166 0.76 TAAR1 (0.54) TAAR1HTR3EHTR3BHTR3AHTR3D

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 TAAR1 364/4885HTR3E 3949/4885HTR3B 2129/4885

“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.