SCHEMBL667330

SCHEMBL667330

CCOC(=O)CCC(=O)C12CCCN(CC1)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL207277 0.81 CHRM2 (0.43) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL9136497 0.79 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3317821 0.78 CHRM2 (0.39) POLBCHRM2CHRM4CHRM1CHRM3
SCHEMBL13398561 0.74 OPRM1 (0.38) CHRM2CHRM4CHRM1CHRM3
SCHEMBL668021 0.74 HCAR2 (0.40) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL668521 0.74 HCAR2 (0.40) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL592258 0.74 OPRM1 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9048771 0.73 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL6628170 0.73 OPRM1 (0.39) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL8558853 0.71 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557819-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-10-15 US disclosed
US-8557819-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-10-15 US disclosed
US-8557819-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-10-15 US disclosed
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-02-23 US disclosed
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-02-23 US disclosed
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-02-23 US disclosed
US-8076340-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076340-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076340-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20090088440-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088440-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088440-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-7476674-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-01-13 US disclosed
US-7476674-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-01-13 US disclosed
US-7476674-B2 Derivatives of 5-pyridazinyl-1-azabicyclo[3.2.1]octane, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-01-13 US disclosed
US-20080176855-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
US-20080176855-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-07-24 US disclosed
US-20080176855-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-07-24 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 (3 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-20090088440-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 TSHR 1210/4885LMNA 2469/4885POLB 696/4885
US-20080176855-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 TSHR 1210/4885LMNA 2469/4885POLB 696/4885
US-20120046298-A1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS TPMT, DHFR, S1PR5 TSHR 1210/4885LMNA 2469/4885POLB 696/4885

“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.