SCHEMBL5965699

SCHEMBL5965699

N#Cc1ccc(NCCCN2C3CCC2CN(Cc2ccc(F)cc2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.48
HTR2A P28223 7/20 0.45
CHRM1 P11229 2/20 0.45
MCHR1 Q99705 2/20 0.45
DRD3 P35462 5/20 0.42
DRD2 P14416 4/20 0.42
PRKAA2 P54646 6/20 0.40
PRKAB2 O43741 4/20 0.39
PRKAG1 P54619 4/20 0.39
PRKAA1 Q13131 4/20 0.39
PRKAG3 Q9UGI9 4/20 0.39
PRKAG2 Q9UGJ0 4/20 0.39
PRKAB1 Q9Y478 4/20 0.39
MEN1 O00255 1/20 0.38
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
HTR7 P34969 2/20 0.38
SLC6A4 P31645 1/20 0.38
CACNA1F O60840 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL5965710 0.90 HRH3 (0.44) CCR3HTR2ACHRM1MCHR1DRD3
SCHEMBL6995086 0.83 CCR3 (0.49) CCR3HTR2ACHRM1MCHR1DRD3
SCHEMBL2966823 0.83 CCR3 (0.48) CCR3HTR2ACHRM1MCHR1DRD3
SCHEMBL5965836 0.82 HRH3 (0.43) CCR3HTR2ACHRM1MCHR1DRD3
SCHEMBL5965538 0.80 DRD3 (0.40) CCR3HTR2ADRD3DRD2PRKAA2
SCHEMBL5965774 0.80 PRKAA2 (0.46) DRD3DRD2PRKAA2HRH2HRH1
SCHEMBL5965797 0.77 MEN1 (0.40) CCR3HTR2ACHRM1MCHR1MEN1
SCHEMBL2967662 0.77 CHRM1 (0.45) CCR3HTR2ACHRM1MCHR1DRD3
SCHEMBL5965683 0.77 MEN1 (0.43) CCR3HTR2ACHRM1MCHR1MEN1
SCHEMBL5965403 0.76 MCHR1 (0.42) MCHR1DRD3DRD2HTR1ASLC6A4

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 CCR3 2137/4885HTR2A 1943/4885CHRM1 457/4885

“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.