SCHEMBL5540201

SCHEMBL5540201

S=[C]CCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.46
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
PKM P14618 1/20 0.44
DAO P14920 3/20 0.43
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL5537535 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1343862 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL6740216 0.78 TAAR1 (0.71) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL2953963 0.77 PKM (0.52) TAAR1IDO1PNMTHTR3EHTR3B
SCHEMBL5609905 0.75 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL5536006 0.74 TAAR1 (0.56) TAAR1IDO1AOC3DAOGPR84
SCHEMBL6961980 0.74 MIF (0.55) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL575128 0.72 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1822278 0.72 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1150773 0.71 TAAR1 (0.50) TAAR1IDO1PNMTSLC6A2SLC6A4

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 364/4885IDO1 3181/4885PNMT 4701/4885

“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.