SCHEMBL5965633

SCHEMBL5965633

CCS(=O)(=O)CCCN1CC2CCC(C1)N2CC(O)COc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
THRB P10828 1/20 0.39
GLA P06280 1/20 0.39
AGER Q15109 1/20 0.39
GAA P10253 1/20 0.39

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 0.88 KCNH2 (0.57) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6096960 0.88 KCNH2 (0.57) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5965656 0.86 KCNH2 (0.42) KCNH2MEN1POLBHRH2HRH1
SCHEMBL6989126 0.85 KCNH2 (0.54) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2970001 0.85 KCNH2 (0.68) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5965551 0.84 HRH3 (0.48) MEN1HRH2HRH1HRH3SIGMAR1
SCHEMBL5965474 0.84 HRH2 (0.43) MEN1HRH2HRH1HRH3
SCHEMBL5965853 0.83 KCNH2 (0.45) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5965484 0.82 POLB (0.51) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5966008 0.82 KCNH2 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012074-B2 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-03-14 US disclosed
US-20040023971-A1 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-02-05 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-20040023971-A1 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, RYR2 KCNH2 2/4885ALDH1A1 239/4885KDM4E 4091/4885

“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.