SCHEMBL6740165

SCHEMBL6740165

COc1cccc(OC)c1NC(=O)N1CC2CC(CN(CC(O)COc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
SCN5A Q14524 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6734803 0.87 GRIN2B (0.54) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6739594 0.86 KCNH2 (0.44) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6738570 0.86 L3MBTL1 (0.46) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6739974 0.85 KCNH2 (0.49) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6738896 0.85 MEN1 (0.51) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6738575 0.84 KCNH2 (0.52) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6733249 0.84 KCNH2 (0.52) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6740324 0.84 GRIN2B (0.52) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6618869 0.83 KCNH2 (0.52) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6737171 0.83 KCNH2 (0.52) KCNH2MEN1KMT2AKDM4EALDH1A1

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 13/4885MEN1 2091/4885KMT2A 3468/4885

“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.