SCHEMBL6010965

SCHEMBL6010965

C[C@]1(CN2CCN(C(=O)OCc3ccc(OC(F)(F)F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.64
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
CHRM1 P11229 1/20 0.49
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
ENPP2 Q13822 7/20 0.41
ATXN2 Q99700 5/20 0.41
CA2 P00918 2/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RY1 P47900 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
SCHEMBL6010835 0.93 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL6010635 0.93 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL6010637 0.91 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL6010792 0.90 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5539511 0.90 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543421 0.89 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5537382 0.88 KCNH2 (0.47) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5542184 0.88 KCNH2 (0.48) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010775 0.88 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5537692 0.88 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.