SCHEMBL6010817

SCHEMBL6010817

CC(C)(C)OC(=O)N1CCN(c2cccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.56
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ENPP2 Q13822 7/20 0.42
MET P08581 2/20 0.40
GPR119 Q8TDV5 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL2089499 0.91 PTGS1 (0.64) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL2089496 0.91 PTGS1 (0.64) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5535406 0.90 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5535416 0.90 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5535402 0.90 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL2097953 0.89 PTGS1 (0.61) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL2097952 0.89 PTGS1 (0.61) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL6010892 0.88 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL2090218 0.87 PTGS1 (0.59) KCNH2PTGS1SLC6A2SLC6A4LMNA
SCHEMBL5016289 0.87 PTGS1 (0.59) KCNH2PTGS1SLC6A2SLC6A4LMNA

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.