SCHEMBL6095709

SCHEMBL6095709

N#Cc1ccc(OC[C@@H](N)CN2CC3CN(C(=O)Nc4ccc(F)c(F)c4)CC3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.44
TRPV4 Q9HBA0 3/20 0.41
ALDH1A1 P00352 1/20 0.40
S1PR2 O95136 1/20 0.38
NAMPT P43490 1/20 0.37
PDGFRB P09619 1/20 0.37
FAAH O00519 2/20 0.37
CSNK1E P49674 1/20 0.37
CCR2 P41597 1/20 0.36
KLKB1 P03952 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6095608 0.90 KCNH2 (0.45) GRIN2BALDH1A1KMT2ASMN1; SMN2
SCHEMBL6096729 0.86 GRIN2B (0.60) GRIN2BNAMPTKMT2ASMN1; SMN2
SCHEMBL6096184 0.85 GRIN2B (0.47) GRIN2BALDH1A1NAMPTPDGFRB
SCHEMBL6092565 0.83 GRIN2B (0.45) GRIN2BNAMPTFAAHCCR2KMT2A
SCHEMBL7250475 0.83 ALDH1A1 (0.39) TRPV4ALDH1A1GAASMN1; SMN2
SCHEMBL6095730 0.80 CHRNA7 (0.41) GRIN2BTRPV4
SCHEMBL7098157 0.80 KCNH2 (0.43) GRIN2BTRPV4ALDH1A1
SCHEMBL6093377 0.80 KCNH2 (0.43) GRIN2BTRPV4ALDH1A1
SCHEMBL5965596 0.80 GRIN2B (0.39) GRIN2BALDH1A1S1PR2NAMPTPDGFRB
SCHEMBL5965725 0.80 GAA (0.42) GRIN2BALDH1A1S1PR2NAMPTPDGFRB

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 GRIN2B 921/4885TRPV4 625/4885ALDH1A1 214/4885

“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.