SCHEMBL7244697

SCHEMBL7244697

CN(CC(=O)C(C)(C)C)C1C2CCC1CN(CCCNc1ccc(C#N)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
CCR3 P51677 1/20 0.38
MEN1 O00255 2/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
AR P10275 3/20 0.35
HRH2 P25021 4/20 0.35
HRH1 P35367 4/20 0.35
KMT2A Q03164 1/20 0.34
KDM1A O60341 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL7251849 0.85 HRH3 (0.38) HRH3CCR3MEN1CYP2D6OPRK1
SCHEMBL7250827 0.85 CYP2D6 (0.37) HRH3CCR3CYP2D6OPRK1AR
SCHEMBL7252505 0.83 CYP2D6 (0.41) HRH3CCR3MEN1CYP2D6OPRK1
SCHEMBL6094385 0.83 CCR3 (0.40) HRH3CCR3MEN1CYP2D6OPRK1
SCHEMBL7246880 0.83 HRH2 (0.37) HRH3MEN1HRH2HRH1KDM1A
SCHEMBL7246408 0.82 HRH2 (0.41) HRH3HRH2HRH1DRD2DRD3
SCHEMBL7243876 0.82 CCR3 (0.38) HRH3CCR3MEN1CYP2D6OPRK1
SCHEMBL7243503 0.82 HRH3 (0.42) HRH3CCR3MEN1CYP2D6OPRK1
SCHEMBL7250291 0.82 HRH2 (0.43) HRH3HRH2HRH1
SCHEMBL7242528 0.81 OPRK1 (0.40) HRH3CCR3MEN1CYP2D6OPRK1

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-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 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-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 HRH3 742/4885CCR3 2275/4885MEN1 1813/4885

“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.