SCHEMBL7035170

SCHEMBL7035170

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KCNH2 Q12809 1/20 0.50
ATM Q13315 1/20 0.49
AGER Q15109 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6993770 0.94 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7032100 0.94 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7032087 0.94 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL6993777 0.94 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7033470 0.88 KCNH2 (0.55) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7034155 0.86 KCNH2 (0.53) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL7033210 0.86 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL6998323 0.86 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL6738943 0.86 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AKCNH2
SCHEMBL6623120 0.86 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AKCNH2

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 KDM4E 4058/4885ALDH1A1 892/4885MEN1 2260/4885

“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.