SCHEMBL5538323

SCHEMBL5538323

CC(O)(CN1CCC(Cc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
KCNH2 Q12809 5/20 0.40
CCR2 P41597 1/20 0.39
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CCR5 P51681 1/20 0.37
DRD4 P21917 1/20 0.37
CHRM4 P08173 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
P2RY1 P47900 1/20 0.35
ACHE P22303 1/20 0.34
SLC2A1 P11166 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
SCHEMBL5538319 1.00 CHRM1 (0.41) CHRM1KCNH2CCR2PTGS1SLC6A2
SCHEMBL5540739 0.88 PTGS1 (0.48) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL5542314 0.86 MCHR1 (0.40) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL5546655 0.86 MCHR1 (0.40) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL5543532 0.86 KCNH2 (0.40) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL58327 0.84 PTGS1 (0.44) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL58326 0.84 PTGS1 (0.44) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL6010770 0.84 CHRM1 (0.39) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL6010765 0.84 CHRM1 (0.39) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL6010757 0.83 CHRM1 (0.41) CHRM1KCNH2

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 CHRM1 463/4885KCNH2 3503/4885CCR2 329/4885

“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.