SCHEMBL6740378

SCHEMBL6740378

CCNC(=O)N1CC2CC(CN(CC(O)CCOc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
KCNH2 Q12809 1/20 0.41
CHRNA7 P36544 1/20 0.40
HRH2 P25021 6/20 0.39
HRH1 P35367 6/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
KCNA5 P22460 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL6734797 0.91 KCNH2 (0.50) KCNH2ALDH1A1KDM4EMAPT
SCHEMBL6739387 0.91 KCNH2 (0.50) KCNH2ALDH1A1KDM4EMAPT
SCHEMBL6742834 0.91 KCNH2 (0.50) KCNH2ALDH1A1KDM4EMAPT
SCHEMBL6738151 0.87 KCNA5 (0.47) HRH3CHRNA7HRH2HRH1ALDH1A1
SCHEMBL6622261 0.86 KCNA5 (0.43) HRH3KCNH2HRH2HRH1PRMT5
SCHEMBL6742582 0.85 CHRNA7 (0.40) HRH3KCNH2CHRNA7HRH2HRH1
SCHEMBL6733487 0.85 CHRNA7 (0.40) HRH3KCNH2CHRNA7HRH2HRH1
SCHEMBL6738449 0.84 KCNH2 (0.51) KCNH2ALDH1A1KDM4EMAPT
SCHEMBL6736864 0.84 KCNH2 (0.51) KCNH2ALDH1A1KDM4EMAPT
SCHEMBL6738998 0.84 KCNH2 (0.51) KCNH2ALDH1A1KDM4EMAPT

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 2 patents. 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
WO-2000077000-A9 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2003-06-19 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D HRH3 300/4885KCNH2 13/4885CHRNA7 645/4885

“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.