SCHEMBL1619682

SCHEMBL1619682

CC(C)(C)N(CCN1CC2CN(CCOCCOc3ccc(C#N)cc3)CC(C1)O2)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 5/20 0.43
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNA5 P22460 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL1618052 0.91 KCNH2 (0.48) KCNH2HRH3HRH2HRH1KDM4E
SCHEMBL1619268 0.90 KCNH2 (0.51) KCNH2HRH3HRH2HRH1MEN1
SCHEMBL1619372 0.89 HTR1A (0.39) KCNH2HRH2HRH1KDM4EALDH1A1
SCHEMBL1619282 0.88 CHRM3 (0.38) KCNH2HRH3HRH2HRH1KDM4E
SCHEMBL4507239 0.86 KCNH2 (0.43) KCNH2HRH3HRH2HRH1ALDH1A1
SCHEMBL5013138 0.86 MMP2 (0.41) KCNH2HRH3HRH2HRH1ALDH1A1
SCHEMBL1619343 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1MEN1SMN1; SMN2
SCHEMBL1619412 0.83 KCNH2 (0.50) KCNH2HRH3HRH2HRH1KDM4E
SCHEMBL1619080 0.82 KCNH2 (0.43) KCNH2HRH3HRH1
SCHEMBL1619417 0.82 DPP4 (0.41) KCNH2ALDH1A1MEN1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US claimed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885HRH3 448/4885HRH2 521/4885

“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.