SCHEMBL5965664

SCHEMBL5965664

CS(=O)(=O)CCCOC(=O)N1CC2CCC(C1)N2CCCS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.38
HRH2 P25021 7/20 0.38
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2A P28223 2/20 0.38
OPRM1 P35372 2/20 0.38
MEN1 O00255 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
USP14 P54578 1/20 0.36
KDM1A O60341 6/20 0.34
APP P05067 2/20 0.34
CYP19A1 P11511 1/20 0.34
CACNA1F O60840 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL5965768 0.90 HRH1 (0.40) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL5965504 0.89 HRH1 (0.43) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL6093974 0.87 HRH1 (0.43) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL5965453 0.85 HRH1 (0.35) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL5965740 0.85 HRH1 (0.44) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL5965612 0.84 HRH1 (0.45) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL5965789 0.84 EPHX2 (0.42) HRH1HRH2HTR1ADRD4HTR2A
SCHEMBL5965534 0.84 GPR119 (0.44) HRH1HRH2
SCHEMBL5965733 0.83 L3MBTL1 (0.44) HRH1HTR1ADRD4HTR2AOPRM1
SCHEMBL5965533 0.82 CYP19A1 (0.39) HRH1HRH2KDM1ACYP19A1HTR7

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 HRH1 2038/4885HRH2 1300/4885HTR1A 1324/4885

“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.