SCHEMBL5543732

SCHEMBL5543732

Clc1ccccc1CCOc1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
KCNH2 Q12809 3/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOB P27338 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
NR4A2 P43354 1/20 0.40
IDO1 P14902 3/20 0.39
MAOA P21397 1/20 0.39
AOC3 Q16853 1/20 0.39
PNMT P11086 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 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
SCHEMBL27629702 0.92 TAAR1 (0.43) TAAR1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5543377 0.87 TAAR1 (0.47) TAAR1KCNH2MAOBSIRT2IDO1
SCHEMBL28301170 0.85 KCNA3 (0.52) TAAR1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL920476 0.82 NR4A2 (0.57) MAOBNR4A2IDO1MAOAMAPT
SCHEMBL5542124 0.79 MAOB (0.46) TAAR1MAOBSIRT2IDO1AOC3
SCHEMBL3903691 0.77 TAAR1 (0.50) TAAR1KCNH2IDO1AOC3MAPT
SCHEMBL5544193 0.76 MAOB (0.46) MAOBSIRT2IDO1MAOATDP1
SCHEMBL10840127 0.75 TAAR1 (0.43) TAAR1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL832700 0.74 NPC1 (0.61) MAOBMAOA
SCHEMBL25186009 0.73 SIRT2 (0.38) TAAR1KCNH2SLC6A2SLC6A4SLC6A3

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 364/4885KCNH2 3503/4885SLC6A2 3396/4885

“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.