SCHEMBL6742543

SCHEMBL6742543

CC(C)(C)OC(=O)NC(COc1ccc(C#N)cc1)CN1CC2CC(C1)CN(C(=O)N1CCCCC1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
HRH2 P25021 4/20 0.37
HRH1 P35367 4/20 0.37
GPR119 Q8TDV5 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6739940 0.88 KCNH2 (0.39) KCNH2HRH2HRH1GPR119AAK1
SCHEMBL6741138 0.88 KCNH2 (0.40) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6737542 0.86 KCNH2 (0.37) KCNH2HRH2HRH1GPR119AAK1
SCHEMBL6736891 0.85 HRH2 (0.36) KCNH2HRH2HRH1GPR119AAK1
SCHEMBL6737081 0.82 HRH2 (0.36) KCNH2HRH2HRH1GPR119AAK1
SCHEMBL6738989 0.81 DPP4 (0.41) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6742548 0.79 GPR119 (0.37) KCNH2GPR119MEN1KMT2AALDH1A1
SCHEMBL6622413 0.77 KCNH2 (0.48) KCNH2GPR119MEN1KMT2AKDM4E
SCHEMBL29388816 0.77 KCNH2 (0.48) KCNH2GPR119MEN1KMT2AKDM4E
SCHEMBL6737686 0.77 KCNH2 (0.39) KCNH2HRH2HRH1KDM1A

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D KCNH2 13/4885HRH2 113/4885HRH1 184/4885

“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.