SCHEMBL6743533

SCHEMBL6743533

CCNC(=O)N1CC2CC(CN(C[C@@H](COc3ccc(C#N)cc3)NC(=O)O)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
CHRNA7 P36544 1/20 0.38
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
KDM1A O60341 1/20 0.35
MGLL Q99685 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
SCHEMBL6737925 1.00 KCNH2 (0.40) KCNH2CHRNA7POLBMMP2MMP3
SCHEMBL6737648 1.00 KCNH2 (0.40) KCNH2CHRNA7POLBMMP2MMP3
SCHEMBL6739839 0.93 KCNH2 (0.40) KCNH2CHRNA7MMP2MMP3HRH3
SCHEMBL6738637 0.93 KCNH2 (0.40) KCNH2CHRNA7MMP2MMP3HRH3
SCHEMBL6737686 0.92 KCNH2 (0.39) KCNH2CHRNA7MMP2MMP3HRH3
SCHEMBL6738144 0.92 KCNH2 (0.39) KCNH2CHRNA7MMP2MMP3HRH3
SCHEMBL6743944 0.90 KCNH2 (0.38) KCNH2CHRNA7MMP2MMP3HRH3
SCHEMBL6734908 0.89 KCNH2 (0.39) KCNH2CHRNA7POLBMMP2MMP3
SCHEMBL6737542 0.89 KCNH2 (0.37) KCNH2CHRNA7HRH2HRH1MGLL
SCHEMBL6733795 0.88 ALDH1A1 (0.42) KCNH2CHRNA7HRH3HRH2HRH1

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 13/4885CHRNA7 645/4885POLB 1658/4885

“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.