SCHEMBL5541406

SCHEMBL5541406

O=[C]OCCCc1ccc2occc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.41
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2A6 P11509 2/20 0.38
FDFT1 P37268 2/20 0.38
EPM2A O95278 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN6 P29350 1/20 0.35
CDC14A Q9UNH5 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
CA2 P00918 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CA12 O43570 1/20 0.34
CYP2C8 P10632 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
SCHEMBL5540644 0.84 CHRM2 (0.50) HTR1BCHRM2CHRM1CHRM3MAOA
SCHEMBL28762517 0.80 CYP2C8 (0.50) HTR1BCHRM2CHRM1CHRM3MAOA
SCHEMBL7364800 0.75 HTR1B (0.40) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL5544196 0.75 CYP1A2 (0.53) CYP2A6
SCHEMBL25742668 0.74 HTR1B (0.47) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL1603347 0.74 HTR1B (0.53) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL28326818 0.74 HTR1B (0.47) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL16140300 0.73 HTR1B (0.46) HTR1BCHRM2CHRM1CHRM3MAOA
SCHEMBL10507927 0.73 HTR1B (0.50) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL9564539 0.73 HTR1B (0.46) HTR1BCHRM2CHRM1CHRM3MAOA

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 HTR1B 3275/4885CHRM2 862/4885CHRM1 463/4885

“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.