SCHEMBL5543733

SCHEMBL5543733

C[C@](O)(CN1CCN(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1)Cn1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRM4 P08173 4/20 0.40
KCNH2 Q12809 4/20 0.38
MCHR1 Q99705 4/20 0.37
MCHR2 Q969V1 1/20 0.36
CHRM1 P11229 1/20 0.35
ACVR1 Q04771 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ACHE P22303 1/20 0.34
LCAT P04180 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
SCHEMBL5543740 1.00 PTGS1 (0.45) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL22499802 0.83 PTGS1 (0.57) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL58326 0.82 PTGS1 (0.44) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL58327 0.82 PTGS1 (0.44) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL3465919 0.74 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL5536822 0.74 PTGS1 (0.46) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL5536827 0.74 PTGS1 (0.46) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL5540739 0.74 PTGS1 (0.48) PTGS1SLC6A2SLC6A4CHRM4KCNH2
SCHEMBL1228757 0.74 CHRM1 (0.44) PTGS1SLC6A2SLC6A4KCNH2CHRM1
SCHEMBL5546655 0.74 MCHR1 (0.40) PTGS1SLC6A2SLC6A4KCNH2MCHR1

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 PTGS1 3838/4885SLC6A2 3396/4885SLC6A4 4191/4885

“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.