SCHEMBL7251803

SCHEMBL7251803

CCS(=O)(=O)CCCN(C)C1C2CCC1CN(CCCNc1ccc(C#N)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.41
MEN1 O00255 2/20 0.37
CCR3 P51677 1/20 0.35
HRH2 P25021 5/20 0.34
HRH1 P35367 5/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 2/20 0.33
GRIA2 P42262 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL6095695 0.86 HRH3 (0.43) HRH3MEN1CCR3HRH2HRH1
SCHEMBL7242820 0.85 HRH3 (0.40) HRH3HRH2HRH1HSD11B1
SCHEMBL7250044 0.84 HRH3 (0.44) HRH3MEN1CCR3HRH2HRH1
SCHEMBL7243503 0.83 HRH3 (0.42) HRH3MEN1CCR3HRH2HRH1
SCHEMBL7250306 0.83 HRH3 (0.37) HRH3MEN1CYP2D6OPRK1KMT2A
SCHEMBL7244084 0.83 HRH3 (0.43) HRH3MEN1CCR3HRH2HRH1
SCHEMBL7244468 0.83 CCR5 (0.42) HRH3MEN1CCR3HRH2HRH1
SCHEMBL7252505 0.80 CYP2D6 (0.41) HRH3MEN1CCR3HRH2HRH1
SCHEMBL7251663 0.80 CYP2D6 (0.39) MEN1CCR3CYP2D6OPRK1KCNH2
SCHEMBL7244697 0.80 HRH3 (0.39) HRH3MEN1CCR3HRH2HRH1

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-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 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-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 HRH3 742/4885MEN1 1813/4885CCR3 2275/4885

“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.