SCHEMBL7856565

SCHEMBL7856565

CCc1c([C]=O)n(C2CC2)c2c(C#N)c(N3C[C@@H]4CCO[C@]4(CN)C3)c(F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 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
SCHEMBL7494525 0.79 KCNH2 (0.34) KCNH2
SCHEMBL7995325 0.79 STAT3 (0.36) KCNH2
SCHEMBL7842251 0.79 STAT3 (0.36) KCNH2
Hydrochloric Acid SCHEMBL7847229 0.79 KCNH2 (0.34) KCNH2
SCHEMBL7492130 0.78 KCNH2 (0.53) KCNH2
Hydrochloric Acid SCHEMBL7836191 0.77 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL7843178 0.77 KCNH2 (0.52) KCNH2
SCHEMBL7495552 0.76 KCNH2 (0.42) KCNH2
Hydrochloric Acid SCHEMBL7494677 0.76 KCNH2 (0.41) KCNH2
Bicarbonate SCHEMBL7496529 0.75 KCNH2 (0.36) KCNH2

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-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

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 3936/4885

“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.