SCHEMBL7501715

SCHEMBL7501715

CC(C)(C)OC(=O)NCC12CN(c3cc4c(c(O)c3F)c(=O)c(C(=O)O)cn4C3CC3)CC1CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
PIK3CD O00329 3/20 0.36
PIK3R1 P27986 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CG P48736 3/20 0.36
CYP1A2 P05177 1/20 0.36
TOP2A P11388 1/20 0.36
CYP2C9 P11712 1/20 0.36
TOP2B Q02880 1/20 0.36
GSK3B P49841 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL7847276 0.93 KCNH2 (0.51) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL7501718 0.90 KCNH2 (0.32) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL8923588 0.87 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8922989 0.84 MEN1 (0.51) KCNH2HRH3KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7847061 0.84 KCNH2 (0.46) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL7496146 0.84 KCNH2 (0.40) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL8924239 0.82 CACNA1F (0.52) KCNH2TOP2ATOP2BGSK3BMEN1
SCHEMBL7494366 0.82 KCNH2 (0.46) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL7846924 0.82 KCNH2 (0.46) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL7846922 0.82 KCNH2 (0.46) KCNH2KDM4EALDH1A1LMNAHPGD

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 3936/4885HRH3 993/4885KDM4E 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.