SCHEMBL5013138

SCHEMBL5013138

CC(C)(C)N(CCN1CC2CN(CCN(CCOc3ccc(C#N)cc3)C(N)=O)CC(C1)O2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.41
KCNH2 Q12809 2/20 0.41
MMP3 P08254 1/20 0.37
HRH2 P25021 8/20 0.37
HRH1 P35367 8/20 0.37
HRH3 Q9Y5N1 6/20 0.37
MEN1 O00255 3/20 0.36
KCNA5 P22460 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL1619682 0.86 KCNH2 (0.45) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4507239 0.86 KCNH2 (0.43) MMP2KCNH2MMP3HRH2HRH1
SCHEMBL1619268 0.85 KCNH2 (0.51) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4512493 0.85 GPR119 (0.42) MMP2KCNH2MMP3HRH2HRH1
SCHEMBL4504088 0.84 KCNH2 (0.42) MMP2KCNH2MMP3HRH2HRH1
SCHEMBL4508438 0.84 MMP2 (0.45) MMP2KCNH2MMP3HRH2HRH1
SCHEMBL1618052 0.84 KCNH2 (0.48) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4513184 0.84 MMP2 (0.43) MMP2KCNH2HRH1MEN1KCNA5
SCHEMBL4133581 0.84 KCNH2 (0.46) MMP2KCNH2MMP3HRH2HRH1
SCHEMBL4508382 0.84 MMP2 (0.43) MMP2KCNH2HRH1HRH3MEN1

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-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 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-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E MMP2 4639/4885KCNH2 14/4885MMP3 4705/4885

“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.