SCHEMBL7034941

SCHEMBL7034941

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
AGER Q15109 1/20 0.40
HTT P42858 2/20 0.39
RAD52 P43351 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7034939 1.00 KCNH2 (0.46) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7033243 0.90 KCNH2 (0.46) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7033237 0.90 KCNH2 (0.46) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7032192 0.87 KDM4E (0.45) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7032195 0.87 KDM4E (0.45) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7028528 0.84 KMT2A (0.42) KCNH2ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7028529 0.84 KMT2A (0.42) KCNH2ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7032087 0.83 KDM4E (0.60) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6993770 0.83 KDM4E (0.60) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7032100 0.83 KDM4E (0.60) 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 1 patent. 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

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 7/4885KDM4E 4058/4885ALDH1A1 892/4885

“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.