SCHEMBL7251663

SCHEMBL7251663

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
OPRK1 P41145 1/20 0.39
SIGMAR1 Q99720 2/20 0.36
KDM1A O60341 6/20 0.36
GRIN2B Q13224 1/20 0.35
CCR3 P51677 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR2 P41597 1/20 0.35
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMO Q99835 1/20 0.33
CCR1 P32246 1/20 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
SCHEMBL7244146 0.88 KDM1A (0.37) CYP2D6OPRK1SIGMAR1KDM1AGRIN2B
SCHEMBL7251058 0.88 GRIN2B (0.37) CYP2D6OPRK1SIGMAR1KDM1AGRIN2B
SCHEMBL7245322 0.85 MGLL (0.41) SIGMAR1GRIN2B
SCHEMBL7250827 0.83 CYP2D6 (0.37) CYP2D6OPRK1SIGMAR1KDM1AGRIN2B
SCHEMBL7244468 0.82 CCR5 (0.42) CYP2D6OPRK1KDM1ACCR3CCR2
SCHEMBL7248514 0.82 DRD2 (0.44) CYP2D6OPRK1SIGMAR1MCHR1
SCHEMBL7248955 0.80 HRH3 (0.37) CYP2D6OPRK1SIGMAR1CCR3MCHR1
SCHEMBL7250306 0.80 HRH3 (0.37) CYP2D6OPRK1KDM1AMEN1
SCHEMBL7251803 0.80 HRH3 (0.41) CYP2D6OPRK1CCR3KCNH2MEN1
SCHEMBL7252505 0.79 CYP2D6 (0.41) CYP2D6OPRK1CCR3MEN1

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 CYP2D6 69/4885OPRK1 3005/4885SIGMAR1 2744/4885

“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.