SCHEMBL3124752

SCHEMBL3124752

N#Cc1ccc(OCCN2CC3CN(CCCN)CC(C2)O3)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HRH3 Q9Y5N1 10/20 0.48
HRH2 P25021 6/20 0.39
HRH1 P35367 6/20 0.39
KDM1A O60341 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 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
Hydrochloric Acid SCHEMBL3132895 0.99 KCNH2 (0.47) KCNH2HRH3HRH2HRH1KDM1A
SCHEMBL15163384 0.93 KCNH2 (0.45) KCNH2HRH3HRH2HRH1KDM1A
Hydrochloric Acid SCHEMBL3126726 0.92 KCNH2 (0.44) KCNH2HRH3HRH2HRH1KDM1A
SCHEMBL13656360 0.88 HRH3 (0.46) KCNH2HRH3KDM1AUSP30KDM4E
SCHEMBL13656359 0.87 HRH3 (0.47) KCNH2HRH3HRH2HRH1KDM1A
SCHEMBL15163479 0.86 HRH3 (0.44) KCNH2HRH3HRH2HRH1KDM1A
Trifluoroacetic Acid SCHEMBL3128408 0.85 KCNH2 (0.42) KCNH2HRH3KDM1AUSP30KDM4E
Hydrochloric Acid SCHEMBL1618281 0.85 HRH3 (0.43) KCNH2HRH3HRH2HRH1KDM1A
Hydrochloric Acid SCHEMBL3122612 0.85 HRH3 (0.43) KCNH2HRH3HRH2HRH1KDM1A
SCHEMBL1619397 0.85 HRH3 (0.50) KCNH2HRH3HRH2HRH1KDM1A

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
US-7648985-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-01-19 US disclosed
US-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-10-29 US disclosed
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-01-01 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 (2 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-20090270383-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885HRH3 437/4885HRH2 616/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885HRH3 437/4885HRH2 616/4885

“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.