SCHEMBL7546064

SCHEMBL7546064

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.51
POLB P06746 2/20 0.51
CACNA1F O60840 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
GSK3B P49841 10/20 0.49
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRKD3 O94806 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Hydrochloric Acid SCHEMBL7848360 0.99 KCNH2 (0.51) KCNH2POLBCACNA1FMAPK1CACNA1D
Trifluoroacetic Acid SCHEMBL7993748 0.96 KCNH2 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL8925488 0.91 KCNH2 (0.59) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7546072 0.90 KCNH2 (0.39) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7993753 0.89 KCNH2 (0.40) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL7491976 0.89 KCNH2 (0.39) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7494469 0.88 GSK3B (0.46) KCNH2POLBCACNA1FMAPK1CACNA1D
Trifluoroacetic Acid SCHEMBL7499704 0.86 KCNH2 (0.37) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL8923847 0.85 MEN1 (0.58) KCNH2POLBCACNA1FMAPK1CACNA1D
Trifluoroacetic Acid SCHEMBL7841876 0.82 KCNH2 (0.61) KCNH2POLBGSK3BMEN1KMT2A

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 KCNH2 3936/4885POLB 636/4885CACNA1F 4495/4885

“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.