SCHEMBL6739844

SCHEMBL6739844

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
MAPK1 P28482 3/20 0.40
POLB P06746 2/20 0.40
AGER Q15109 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL6737450 0.89 KCNH2 (0.52) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6740244 0.87 KCNH2 (0.52) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6740410 0.85 KCNH2 (0.49) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6743295 0.85 KCNH2 (0.49) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29388816 0.85 KCNH2 (0.48) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6622413 0.85 KCNH2 (0.48) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6997421 0.83 KCNH2 (0.48) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6622630 0.82 MEN1 (0.53) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6619543 0.82 MEN1 (0.53) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6738728 0.82 KCNH2 (0.49) KCNH2ALDH1A1KDM4EMEN1KMT2A

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 13/4885ALDH1A1 790/4885KDM4E 4541/4885

“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.