SCHEMBL6010758

SCHEMBL6010758

O=C(O)N1CCN(CC2Cn3cc([N+](=O)[O-])nc3O2)C[C@@H]1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.38
SLC2A1 P11166 1/20 0.37
OPRK1 P41145 1/20 0.35
LMNA P02545 1/20 0.34
TGM2 P21980 1/20 0.33
KCNH2 Q12809 5/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
S1PR1 P21453 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL6010751 1.00 CHRM1 (0.38) CHRM1SLC2A1OPRK1LMNATGM2
SCHEMBL5543324 0.83 CHRM1 (0.43) CHRM1LMNATGM2ALDH1A1
SCHEMBL5544155 0.83 CHRM1 (0.43) CHRM1LMNATGM2ALDH1A1
SCHEMBL5543317 0.83 CHRM1 (0.43) CHRM1LMNATGM2ALDH1A1
SCHEMBL6010642 0.83 KCNH2 (0.46) CHRM1SLC2A1OPRK1LMNATGM2
SCHEMBL6010648 0.83 KCNH2 (0.46) CHRM1SLC2A1OPRK1LMNATGM2
SCHEMBL6010744 0.80 CHRM1 (0.44) CHRM1SLC2A1TGM2KCNH2ALDH1A1
SCHEMBL5542598 0.80 CHRM1 (0.44) CHRM1SLC2A1TGM2KCNH2ALDH1A1
SCHEMBL5540976 0.80 ENPP2 (0.40) CHRM1KCNH2
SCHEMBL5540981 0.80 ENPP2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US 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 463/4885SLC2A1 2699/4885OPRK1 660/4885

“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.