SCHEMBL5965616

SCHEMBL5965616

CCS(=O)(=O)CCCN1CC2CCC(C1)N2CCOc1ccc(C#N)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.38
HRH1 P35367 10/20 0.37
HRH2 P25021 9/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6093121 0.88 HRH3 (0.40) HRH3HRH1HRH2ALDH1A1HPGD
SCHEMBL5965551 0.86 HRH3 (0.48) HRH3HRH1HRH2MEN1
SCHEMBL5965805 0.85 ALDH1A1 (0.36) HRH3HRH1HRH2ALDH1A1HPGD
SCHEMBL5965684 0.83 SIGMAR1 (0.42) HRH3HRH1HRH2MEN1KMT2A
SCHEMBL5965570 0.82 HRH3 (0.39) HRH3HRH1HRH2
SCHEMBL5965840 0.80 PTGDR2 (0.42) ALDH1A1HPGDMEN1PTGDR2KMT2A
SCHEMBL5965575 0.78 HRH2 (0.42) HRH3HRH1HRH2ALDH1A1HPGD
SCHEMBL5965401 0.78 ALDH1A1 (0.36) HRH3HRH1HRH2ALDH1A1HPGD
SCHEMBL5965645 0.77 HTR6 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL5965510 0.77 CHEK1 (0.33) HRH3HRH1HRH2ALDH1A1HPGD

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 HRH3 2774/4885HRH1 2038/4885HRH2 1300/4885

“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.