SCHEMBL5965477

SCHEMBL5965477

COc1ccc(S(=O)(=O)N2CC3CCC(C2)N3CCCNc2ccc(C#N)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
CYP19A1 P11511 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
SCHEMBL5965565 0.86 GPBAR1 (0.42) CCR6MEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL5965760 0.83 CCR6 (0.43) CCR6MEN1KMT2ASMN1; SMN2GPBAR1
SCHEMBL5965403 0.82 MCHR1 (0.42) KMT2AALDH1A1MAPT
SCHEMBL5965951 0.81 ALDH1A1 (0.41) CCR6MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5965460 0.81 HRH3 (0.38) CCR6MEN1
SCHEMBL5965719 0.80 SIGMAR1 (0.41) KMT2AALDH1A1
SCHEMBL5965645 0.79 HTR6 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7250864 0.78 HRH3 (0.38) CCR6MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5965673 0.76 SLC6A9 (0.47) KMT2AMAPTPOLB
SCHEMBL5965660 0.76 HRH3 (0.39) CCR6MEN1

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 CCR6 3271/4885MEN1 2378/4885KMT2A 3300/4885

“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.