SCHEMBL6988931

SCHEMBL6988931

N#Cc1ccc(OCC(O)CN2CC3CC(C2)CN(S(=O)(=O)C(F)(F)F)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.44
AGER Q15109 1/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL7027128 0.87 KCNH2 (0.55) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7032100 0.86 KDM4E (0.60) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7032087 0.86 KDM4E (0.60) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6993770 0.86 KDM4E (0.60) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6993777 0.86 KDM4E (0.60) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7101395 0.85 KCNH2 (0.58) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6992942 0.84 KCNH2 (0.53) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7034195 0.83 KCNH2 (0.49) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6996491 0.82 KCNH2 (0.51) KCNH2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL7031453 0.82 KCNH2 (0.51) KCNH2ALDH1A1KDM4EKMT2AMEN1

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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E KCNH2 7/4885ALDH1A1 892/4885KDM4E 4058/4885

“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.