SCHEMBL6735514

SCHEMBL6735514

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 3/20 0.40
ABCB1 P08183 3/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPK1 P28482 1/20 0.38
CASP2 P42575 1/20 0.38
AGER Q15109 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
SCHEMBL6739623 1.00 KCNH2 (0.48) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6738998 0.95 KCNH2 (0.51) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6738449 0.95 KCNH2 (0.51) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6736864 0.95 KCNH2 (0.51) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6734797 0.89 KCNH2 (0.50) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6739387 0.89 KCNH2 (0.50) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6742834 0.89 KCNH2 (0.50) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6733478 0.89 KCNH2 (0.44) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL7474790 0.88 KCNH2 (0.47) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL6739920 0.88 MGLL (0.50) KCNH2KDM4EALDH1A1KMT2AMEN1

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 3 patents. 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
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO 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 13/4885KDM4E 4541/4885ALDH1A1 790/4885

“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.