SCHEMBL5965733

SCHEMBL5965733

N#Cc1ccc(S(=O)(=O)CCCN2C3CCC2CN(C(=O)OCc2ccccc2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
F13A1 P00488 4/20 0.41
TGM2 P21980 4/20 0.41
TGM1 P22735 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL5965504 0.88 HRH1 (0.43) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL5965768 0.84 HRH1 (0.40) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL5965533 0.84 CYP19A1 (0.39) HRH1MMP9THRB
SCHEMBL5965664 0.83 HRH1 (0.38) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL5965612 0.82 HRH1 (0.45) L3MBTL1HTR1ADRD4HTR2AHRH1
SCHEMBL5965534 0.82 GPR119 (0.44) HRH1
SCHEMBL5965861 0.82 L3MBTL1 (0.48) L3MBTL1HTR1ADRD4HTR2AHRH1
SCHEMBL5965789 0.80 EPHX2 (0.42) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL5965740 0.80 HRH1 (0.44) HTR1ADRD4HTR2AHRH1OPRM1
SCHEMBL5965757 0.80 HRH2 (0.36) HRH1

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 L3MBTL1 922/4885HTR1A 1324/4885DRD4 623/4885

“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.