SCHEMBL6010637

SCHEMBL6010637

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
CACNA1C Q13936 1/20 0.47
SCN5A Q14524 1/20 0.47
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ENPP2 Q13822 4/20 0.41
ATXN2 Q99700 3/20 0.41
CHRM1 P11229 1/20 0.37
LIN28A Q9H9Z2 1/20 0.35
CETP P11597 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
OPRK1 P41145 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
SCHEMBL5546272 0.92 KCNH2 (0.49) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010792 0.91 KCNH2 (0.57) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5539511 0.91 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5546636 0.91 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL6010965 0.91 KCNH2 (0.64) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544516 0.91 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5537382 0.90 KCNH2 (0.47) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542184 0.89 KCNH2 (0.48) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5542291 0.89 KCNH2 (0.46) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544102 0.89 KCNH2 (0.44) KCNH2CACNA1CSCN5APTGS1SLC6A2

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 3503/4885CACNA1C 3762/4885SCN5A 3856/4885

“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.