SCHEMBL5965645

SCHEMBL5965645

COc1ccc(S(=O)(=O)N2CC3CCC(C2)N3CCOc2ccc(C#N)cc2C#N)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
FKBP5 Q13451 1/20 0.38
TSHR P16473 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5965760 0.90 CCR6 (0.43) GPBAR1ADRA1AADRA1BALDH1A1ATM
SCHEMBL5965919 0.85 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5965805 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5965565 0.81 GPBAR1 (0.42) HTR6GPBAR1ALDH1A1ATMTSHR
SCHEMBL5965772 0.81 SLC6A9 (0.46) POLB
SCHEMBL5965477 0.79 CCR6 (0.43) GPBAR1ALDH1A1ATMHDAC3HDAC4
SCHEMBL5965604 0.77 POLB (0.46) GPBAR1ALDH1A1ATMMEN1KMT2A
SCHEMBL5965616 0.77 HRH3 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL5965570 0.76 HRH3 (0.39)
SCHEMBL5965840 0.76 PTGDR2 (0.42) ALDH1A1MEN1KMT2A

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 4 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
EP-1328526-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-07-23 EP disclosed
WO-2002032902-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-25 WO 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 HTR6 3661/4885GPBAR1 431/4885ADRA1A 44/4885

“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.