SCHEMBL6737542

SCHEMBL6737542

CCNC(=O)N1CC2CC(CN(CC(COc3ccc(C#N)cc3)NC(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
HRH2 P25021 6/20 0.36
HRH1 P35367 6/20 0.36
CHRNA7 P36544 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
MGLL Q99685 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL6737686 0.91 KCNH2 (0.39) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6739940 0.91 KCNH2 (0.39) KCNH2AAK1HRH2HRH1HDAC3
SCHEMBL6736891 0.90 HRH2 (0.36) KCNH2AAK1HRH2HRH1HDAC3
SCHEMBL6739839 0.89 KCNH2 (0.40) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6737925 0.89 KCNH2 (0.40) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6738637 0.89 KCNH2 (0.40) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6743533 0.89 KCNH2 (0.40) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6737648 0.89 KCNH2 (0.40) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6738144 0.88 KCNH2 (0.39) KCNH2HRH2HRH1CHRNA7MGLL
SCHEMBL6743944 0.86 KCNH2 (0.38) KCNH2HRH2HRH1CHRNA7MGLL

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 13/4885AAK1 1934/4885HRH2 113/4885

“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.