SCHEMBL6097455

SCHEMBL6097455

CC(c1ccccc1)N1CC2CN(C(C)c3ccccc3)CC2C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.65
MC4R P32245 1/20 0.57
OPRM1 P35372 3/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 2/20 0.47
OPRD1 P41143 1/20 0.47
CCR5 P51681 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40

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
SCHEMBL2916607 0.83 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL9596277 0.83 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2921816 0.83 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2920210 0.83 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL48088 0.83 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL18517597 0.82 SLC6A9 (0.47) CYP2D6MC4RCCR5ALDH1A1KMT2A
SCHEMBL11478237 0.82 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7234103 0.82 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
Ethane SCHEMBL9682617 0.82 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7239446 0.82 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US claimed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP claimed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US claimed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP claimed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO claimed
US-7144914-B2 3,7-diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-05 US disclosed
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 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-20040053986-A1 3,7-Diazabicyclo[3.3.0]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, CACNA1E CYP2D6 71/4885MC4R 4039/4885OPRM1 813/4885

“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.