SCHEMBL6094890

SCHEMBL6094890

COCCOCCNC(=O)n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.35
NAMPT P43490 3/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
CD38 P28907 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.34
ABCB11 O95342 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
SCHEMBL7724075 0.91 BCHE (0.40) SMN1; SMN2ALDH1A1HPGDHSD17B10TDP1
SCHEMBL15570675 0.87 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL12031906 0.83 L3MBTL1 (0.33) SMN1; SMN2ALDH1A1HSD17B10TDP1TSHR
SCHEMBL20393801 0.83 TDP1 (0.38) TDP1MEN1KMT2ABCHENAMPT
SCHEMBL25347953 0.79 CYP19A1 (0.34) TSHR
SCHEMBL2482514 0.79 THRB (0.37) SMN1; SMN2ALDH1A1TDP1TSHRMAPT
SCHEMBL19990890 0.79 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1TDP1TSHRMAPT
SCHEMBL19240712 0.78 ABCB11 (0.35) ALDH1A1HPGDHSD17B10TDP1TSHR
SCHEMBL16214294 0.78 ABCB11 (0.35) ALDH1A1HPGDHSD17B10TDP1TSHR
SCHEMBL5257422 0.77 QPCT (0.45) SMN1; SMN2ALDH1A1MEN1KMT2ABCHE

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
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 (2 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 SMN1; SMN2 3434/4885ALDH1A1 214/4885HPGD 3321/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 SMN1; SMN2 3828/4885ALDH1A1 315/4885HPGD 932/4885

“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.