SCHEMBL6737490

SCHEMBL6737490

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
KDM1A O60341 1/20 0.38
MMP2 P08253 6/20 0.36
MMP3 P08254 5/20 0.36
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
POLB P06746 1/20 0.33
CHRNA7 P36544 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6733200 0.85 KDM1A (0.37) KCNH2KDM1AMMP2MMP3HRH2
SCHEMBL6737941 0.84 KCNH2 (0.52) KCNH2POLBALDH1A1HPGD
SCHEMBL6737171 0.84 KCNH2 (0.52) KCNH2POLBALDH1A1HPGD
SCHEMBL6743285 0.82 KCNH2 (0.43) KCNH2KDM1AMMP2MMP3HRH2
SCHEMBL6741109 0.77 KCNH2 (0.51) KCNH2KDM1AMMP2MMP3POLB
SCHEMBL6741315 0.76 KCNJ1 (0.46) KCNH2KDM1ACHRNA7ALDH1A1
SCHEMBL6095860 0.75 KCNH2 (0.55) KCNH2POLBALDH1A1HPGD
SCHEMBL6740244 0.75 KCNH2 (0.52) KCNH2KDM1APOLBALDH1A1HPGD
SCHEMBL6995893 0.74 KCNH2 (0.40) KCNH2KDM1AMMP2MMP3HRH2
SCHEMBL6738575 0.74 KCNH2 (0.52) KCNH2POLBALDH1A1HPGD

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 13/4885KDM1A 4132/4885MMP2 4073/4885

“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.