SCHEMBL6095487

SCHEMBL6095487

COc1ccc(CCN2CC3CN(CCOc4ccc(C#N)cc4)CC3C2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.52
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SIGMAR1 Q99720 3/20 0.43
EBP Q15125 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL7027091 0.92 MCHR1 (0.49) MCHR1HRH2HRH1HRH3SIGMAR1
SCHEMBL2954066 0.91 MCHR1 (0.48) MCHR1HRH2HRH1HRH3SIGMAR1
SCHEMBL1333264 0.90 KCNJ1 (0.55) HRH3SIGMAR1EBPTMEM97KCNJ1
Hydrochloric Acid SCHEMBL1334285 0.89 KCNJ1 (0.53) SIGMAR1EBPTMEM97KCNJ1KCNH2
SCHEMBL5969649 0.86 MCHR1 (0.45) MCHR1HRH3SIGMAR1EBPTMEM97
SCHEMBL6093886 0.86 KCNH2 (0.49) MCHR1KDM4EALDH1A1TSHRKCNH2
SCHEMBL6093884 0.86 KCNH2 (0.49) MCHR1KDM4EALDH1A1TSHRKCNH2
SCHEMBL1332159 0.82 HTR1A (0.55) HRH2HRH1HRH3HTR1ASLC6A4
SCHEMBL6094346 0.81 MCHR1 (0.46) MCHR1HRH2HRH1HRH3SIGMAR1
SCHEMBL6095711 0.81 MCHR1 (0.46) MCHR1SIGMAR1EBPTMEM97KDM4E

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 5 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 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 MCHR1 2933/4885HRH2 2122/4885HRH1 2707/4885

“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.