SCHEMBL6095746

SCHEMBL6095746

N#Cc1ccc(OC[C@@H](O)CN2CC3CNCC3C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.59
HRH1 P35367 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KCNH2 Q12809 1/20 0.53
ATM Q13315 1/20 0.49
AGER Q15109 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 2/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL6095749 1.00 HRH2 (0.59) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL6619551 0.89 KDM4E (0.55) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL6623120 0.89 KDM4E (0.55) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL6738943 0.89 KDM4E (0.55) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL2960635 0.88 KCNH2 (0.62) HRH2HRH1HRH3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6621037 0.88 KDM4E (0.54) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL2960202 0.88 KCNH2 (0.62) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL2960197 0.88 KCNH2 (0.62) HRH2HRH1HRH3KDM4EALDH1A1
SCHEMBL5965631 0.85 KDM4E (0.58) HRH1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7032087 0.84 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AKCNH2

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 3 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

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 HRH2 2122/4885HRH1 2707/4885HRH3 3033/4885

“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.