SCHEMBL6096960

SCHEMBL6096960

CCS(=O)(=O)CCCN1CC2CN(C[C@@H](O)COc3ccc(C#N)cc3)CC2C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
POLB P06746 2/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 4/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6096956 1.00 KCNH2 (0.57) KCNH2POLBKDM4EALDH1A1MEN1
SCHEMBL6989126 0.93 KCNH2 (0.54) KCNH2POLBKDM4EALDH1A1MEN1
SCHEMBL2970001 0.92 KCNH2 (0.68) KCNH2POLBKDM4EALDH1A1MEN1
SCHEMBL5965633 0.88 KCNH2 (0.49) KCNH2POLBKDM4EALDH1A1MEN1
SCHEMBL7098324 0.88 HRH3 (0.45) KCNH2POLBMEN1HRH2HRH1
SCHEMBL6094368 0.88 HRH3 (0.45) KCNH2POLBMEN1HRH2HRH1
SCHEMBL6094373 0.88 HRH3 (0.45) KCNH2POLBMEN1HRH2HRH1
SCHEMBL7252449 0.85 KCNH2 (0.49) KCNH2POLBKDM4EALDH1A1MEN1
SCHEMBL6094465 0.85 HRH3 (0.56) MEN1HRH2HRH1HRH3
SCHEMBL6094508 0.84 KCNH2 (0.54) KCNH2POLBKDM4EALDH1A1MEN1

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-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E KCNH2 2/4885POLB 1934/4885KDM4E 3426/4885

“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.