SCHEMBL5965629

SCHEMBL5965629

CCS(=O)(=O)N1CC2CCC(C1)N2CCCC(Oc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
SLC6A4 P31645 2/20 0.37
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
AKR1C3 P42330 1/20 0.34
MAPT P10636 1/20 0.34
FKBP1A P62942 1/20 0.34
FKBP4 Q02790 1/20 0.34
FKBP5 Q13451 1/20 0.34
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTT P42858 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
SCHEMBL5965915 0.94 NPC1 (0.37) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965779 0.93 HRH3 (0.37) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965671 0.92 HRH3 (0.36) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965549 0.91 HRH3 (0.40) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965662 0.88 HRH3 (0.39) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965939 0.87 MAPT (0.38) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965615 0.86 HRH2 (0.41) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965785 0.86 MAPT (0.37) HRH3SLC6A4PPARDPPARAHRH2
SCHEMBL5965866 0.86 TP53 (0.40) HRH3SLC6A4AKR1C3MAPTFKBP1A
SCHEMBL5966000 0.86 TP53 (0.40) HRH3SLC6A4AKR1C3MAPTFKBP1A

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 2774/4885SLC6A4 4154/4885PPARD 2267/4885

“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.