SCHEMBL7494469

SCHEMBL7494469

COc1c(N2CC3CCOC3(CNC(=O)OC(C)(C)C)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.46
KCNH2 Q12809 3/20 0.45
POLB P06746 2/20 0.45
CACNA1F O60840 1/20 0.45
MAPK1 P28482 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL8924239 0.94 CACNA1F (0.52) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL7494472 0.91 GSK3B (0.36) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL8922989 0.88 MEN1 (0.51) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL7546064 0.88 KCNH2 (0.51) GSK3BKCNH2POLBCACNA1FMAPK1
Hydrochloric Acid SCHEMBL7848360 0.87 KCNH2 (0.51) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL7493082 0.87 KCNH2 (0.54) GSK3BKCNH2POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7993748 0.86 KCNH2 (0.48) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL9212277 0.85 CACNA1F (0.40) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL8851756 0.84 MEN1 (0.42) GSK3BKCNH2POLBCACNA1FMAPK1
SCHEMBL7836504 0.84 KCNH2 (0.46) KCNH2POLBTOP2ATOP2BMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 EP disclosed
US-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM GSK3B 1782/4885KCNH2 3936/4885POLB 636/4885

“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.