SCHEMBL7494366

SCHEMBL7494366

CC(C)(C)OC(=O)NCC12CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC1CCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 3/20 0.43
OPRM1 P35372 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRD1 P41143 1/20 0.42
TOP2A P11388 4/20 0.42
TOP2B Q02880 4/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7836509 1.00 KCNH2 (0.46) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL7846922 1.00 KCNH2 (0.46) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL7846924 1.00 KCNH2 (0.46) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL7836504 1.00 KCNH2 (0.46) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL8922822 0.94 ALDH1A1 (0.51) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL7846534 0.94 ADRB2 (0.42) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL7493082 0.93 KCNH2 (0.54) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL7847474 0.93 ADRB2 (0.48) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL8925166 0.92 CYP3A4 (0.39) KCNH2ALDH1A1KDM4EPOLBHPGD
SCHEMBL8925167 0.92 CYP3A4 (0.39) KCNH2ALDH1A1KDM4EPOLBHPGD

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 8 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
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP 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 3936/4885ALDH1A1 670/4885KDM4E 1947/4885

“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.