SCHEMBL7250827

SCHEMBL7250827

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
AR P10275 6/20 0.35
HRH3 Q9Y5N1 3/20 0.33
CCR3 P51677 1/20 0.33
CCR2 P41597 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
PDK2 Q15119 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL7244697 0.85 HRH3 (0.39) CYP2D6OPRK1ARHRH3CCR3
SCHEMBL7251663 0.83 CYP2D6 (0.39) CYP2D6OPRK1CCR3CCR2GRIN2B
SCHEMBL6094385 0.83 CCR3 (0.40) CYP2D6OPRK1ARHRH3CCR3
SCHEMBL7251058 0.80 GRIN2B (0.37) CYP2D6OPRK1CCR3CCR2GRIN2B
SCHEMBL7244146 0.80 KDM1A (0.37) CYP2D6OPRK1HRH3CCR2GRIN2B
SCHEMBL7248514 0.80 DRD2 (0.44) CYP2D6OPRK1HRH3SIGMAR1
SCHEMBL5965408 0.79 AR (0.41) CYP2D6OPRK1ARCCR3CCR2
SCHEMBL7244468 0.78 CCR5 (0.42) CYP2D6OPRK1HRH3CCR3CCR2
SCHEMBL7251803 0.78 HRH3 (0.41) CYP2D6OPRK1HRH3CCR3
SCHEMBL6986200 0.77 CCR3 (0.39) ARCCR3

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 CYP2D6 69/4885OPRK1 3005/4885AR 2213/4885

“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.