SCHEMBL6734908

SCHEMBL6734908

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
POLB P06746 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
UBE2N P61088 1/20 0.34
KCNA5 P22460 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRNA7 P36544 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
SCHEMBL6743533 0.89 KCNH2 (0.40) KCNH2POLBMMP2MMP3HRH3
SCHEMBL6737648 0.89 KCNH2 (0.40) KCNH2POLBMMP2MMP3HRH3
SCHEMBL6737925 0.89 KCNH2 (0.40) KCNH2POLBMMP2MMP3HRH3
SCHEMBL6736891 0.89 HRH2 (0.36) KCNH2MMP2MMP3HRH2HRH1
SCHEMBL6739333 0.87 KCNH2 (0.49) KCNH2POLBMEN1KMT2AKDM4E
SCHEMBL6739201 0.87 KCNH2 (0.49) KCNH2POLBMEN1KMT2AKDM4E
SCHEMBL6739839 0.82 KCNH2 (0.40) KCNH2MMP2MMP3HRH3HRH2
SCHEMBL6738637 0.82 KCNH2 (0.40) KCNH2MMP2MMP3HRH3HRH2
SCHEMBL6741138 0.82 KCNH2 (0.40) KCNH2POLBHRH3MEN1KMT2A
SCHEMBL6738144 0.81 KCNH2 (0.39) KCNH2MMP2MMP3HRH3HRH2

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 13/4885POLB 1658/4885MMP2 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.