SCHEMBL3130741

SCHEMBL3130741

N#Cc1ccc(OC[C@@H](O)CN2CC3CN(CCN)CC(C2)O3)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.68
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 2/20 0.47
GLA P06280 1/20 0.44
AGER Q15109 1/20 0.43
ATM Q13315 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3130749 1.00 KCNH2 (0.68) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2966219 0.92 KCNH2 (0.70) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2966221 0.92 KCNH2 (0.70) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7034155 0.88 KCNH2 (0.53) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2956804 0.86 KCNH2 (0.65) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5090602 0.86 KCNH2 (0.65) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2968351 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2960635 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2960202 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2960197 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1KMT2AMEN1

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 8/4885KDM4E 4088/4885ALDH1A1 468/4885
US-20090005558-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885KDM4E 4088/4885ALDH1A1 468/4885

“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.