SCHEMBL6992942

SCHEMBL6992942

CN(C)S(=O)(=O)N1CC2CC(CN(CC(O)COc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.45
AGER Q15109 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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 0.89 KCNH2 (0.55) KCNH2ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL7101395 0.87 KCNH2 (0.58) KCNH2ALDH1A1MAPK1USP2SMN1; SMN2
SCHEMBL6993777 0.86 KDM4E (0.60) KCNH2ALDH1A1MAPK1USP2MAPT
SCHEMBL7032100 0.86 KDM4E (0.60) KCNH2ALDH1A1MAPK1USP2MAPT
SCHEMBL6993770 0.86 KDM4E (0.60) KCNH2ALDH1A1MAPK1USP2MAPT
SCHEMBL7032087 0.86 KDM4E (0.60) KCNH2ALDH1A1MAPK1USP2MAPT
SCHEMBL6988931 0.84 KCNH2 (0.51) KCNH2ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL7031453 0.83 KCNH2 (0.51) KCNH2ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL6740244 0.83 KCNH2 (0.52) KCNH2ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL7033470 0.83 KCNH2 (0.55) KCNH2ALDH1A1MAPK1USP2SMN1; 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 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 892/4885MAPK1 1048/4885

“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.