SCHEMBL1483313

SCHEMBL1483313

c1c[nH]c(-c2ccc(C34CCCN(CC3)C4)cn2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.36
CDC42BPB Q9Y5S2 6/20 0.36
ROCK2 O75116 5/20 0.36
CDC42BPA Q5VT25 5/20 0.36
PARP1 P09874 1/20 0.33
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MTOR P42345 1/20 0.30

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
Hydrochloric Acid SCHEMBL1484299 0.99 ROCK1 (0.35) ROCK1CDC42BPBROCK2CDC42BPAPARP1
SCHEMBL4264723 0.87 ALOX5AP (0.39)
SCHEMBL2818737 0.81 ROCK1 (0.33) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL4460733 0.81 KDR (0.33)
Bromide SCHEMBL667967 0.81 ROCK2 (0.33) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL1483337 0.79
SCHEMBL1483304 0.79
SCHEMBL5216499 0.78 ALOX5AP (0.38) ROCK1ROCK2
Bromide SCHEMBL4477940 0.77 ALOX5AP (0.37) ROCK1ROCK2
SCHEMBL4463296 0.76 HSD11B1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541440-B2 Derivatives of 5-pyridinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-09-24 US claimed
US-20110077264-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-03-31 US claimed
EP-1915375-B1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-10-07 EP claimed
US-20080146608-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-06-19 US claimed
EP-1915375-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-04-30 EP claimed
WO-2007020344-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-02-22 WO claimed
US-8541440-B2 Derivatives of 5-pyridinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-09-24 US disclosed
US-20110077264-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2011-03-31 US disclosed
US-7863290-B2 Derivatives of 5-pyridinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-01-04 US disclosed
EP-1915375-B1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-10-07 EP disclosed
US-20080146608-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-06-19 US disclosed
EP-1915375-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2008-04-30 EP disclosed
WO-2007020344-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-02-22 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 (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-20110077264-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DPYD, IMPDH1 ROCK1 1537/4885CDC42BPB 3268/4885ROCK2 2490/4885
US-20080146608-A1 DERIVATIVES OF 5-PYRIDINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DPYD, IMPDH1 ROCK1 1537/4885CDC42BPB 3268/4885ROCK2 2490/4885

“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.