SCHEMBL5544288

SCHEMBL5544288

CN(CCc1cc[c]cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45
SIGMAR1 Q99720 1/20 0.39
CNR2 P34972 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
CHKA P35790 3/20 0.35
FDPS P14324 1/20 0.35
CHKB Q9Y259 1/20 0.35
CNR1 P21554 1/20 0.35
KCNH2 Q12809 3/20 0.34
BCL2L1 Q07817 1/20 0.34

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
SCHEMBL9864167 0.82 HDAC1 (0.42) AOC3CNR2CHKACNR1
SCHEMBL5544120 0.79 TAAR1 (0.40) MCHR1TAAR1
SCHEMBL5536365 0.76 CNR2 (0.44) AOC3CHRM1CNR2CHKACHKB
SCHEMBL10452824 0.75 CNR2 (0.40) AOC3CNR2CNR1KCNH2
SCHEMBL5542513 0.75 SLC6A4 (0.46) CNR2
SCHEMBL10464560 0.75 PYCR1 (0.43) AOC3CHKA
SCHEMBL3036816 0.75 TAAR1 (0.52) AOC3TAAR1
SCHEMBL10452760 0.73 CNR2 (0.54) AOC3CNR2
SCHEMBL164552 0.73 TAAR1 (0.60) AOC3SIGMAR1TAAR1KCNH2
SCHEMBL11050725 0.73 ALDH1A1 (0.49) AOC3CHRM1HTR2AMCHR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 AOC3 259/4885CHRM1 463/4885HTR2A 4120/4885

“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.