SCHEMBL5546655

SCHEMBL5546655

C[C@](O)(CN1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
KCNH2 Q12809 6/20 0.40
GRIN2B Q13224 2/20 0.38
EPHX2 P34913 6/20 0.38
P2RY1 P47900 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRM1 P11229 1/20 0.37
ROCK2 O75116 1/20 0.36
CXCR3 P49682 1/20 0.36
EPHX1 P07099 1/20 0.35

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
SCHEMBL5542314 1.00 MCHR1 (0.40) MCHR1KCNH2GRIN2BEPHX2P2RY1
SCHEMBL5540739 0.87 PTGS1 (0.48) MCHR1KCNH2EPHX2PTGS1SLC6A2
SCHEMBL5538319 0.86 CHRM1 (0.41) KCNH2P2RY1PTGS1SLC6A2SLC6A4
SCHEMBL5538323 0.86 CHRM1 (0.41) KCNH2P2RY1PTGS1SLC6A2SLC6A4
SCHEMBL58327 0.85 PTGS1 (0.44) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL58326 0.85 PTGS1 (0.44) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543532 0.85 KCNH2 (0.40) MCHR1KCNH2P2RY1PTGS1SLC6A2
SCHEMBL6010757 0.82 CHRM1 (0.41) KCNH2CHRM1
SCHEMBL5541725 0.81 KCNH2 (0.39) KCNH2CHRM1
SCHEMBL5541743 0.81 KCNH2 (0.39) KCNH2CHRM1

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 MCHR1 2179/4885KCNH2 3503/4885GRIN2B 504/4885

“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.