SCHEMBL4140849

SCHEMBL4140849

N#Cc1ccc(OCCCN2CC3CN(CCCCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
HRH2 P25021 13/20 0.51
HRH1 P35367 13/20 0.51
HRH3 Q9Y5N1 13/20 0.51
MEN1 O00255 2/20 0.47

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
SCHEMBL4139633 0.97 KCNH2 (0.53) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL3598224 0.97 KCNH2 (0.57) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4137801 0.95 KCNH2 (0.59) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL1619409 0.94 KCNH2 (0.54) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4134193 0.89 KCNH2 (0.53) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4669237 0.88 KCNH2 (0.52) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4134172 0.87 KCNH2 (0.66) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL2967865 0.84 KCNH2 (0.55) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4134400 0.84 KCNH2 (0.67) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4128937 0.84 KCNH2 (0.67) KCNH2HRH2HRH1HRH3MEN1

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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed

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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885HRH2 521/4885HRH1 484/4885

“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.