SCHEMBL1428246

SCHEMBL1428246

CCOC(=O)C1(c2cccs2)CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.53
OPRM1 P35372 5/20 0.45
SLC6A2 P23975 1/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
LMNA P02545 2/20 0.44
SLC22A1 O15245 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
SLC6A3 Q01959 1/20 0.42
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7414392 1.00 CHRM3 (0.53) CHRM3OPRM1SLC6A2OPRD1OPRK1
SCHEMBL7415776 0.99 CHRM3 (0.51) CHRM3OPRM1SLC6A2OPRD1OPRK1
SCHEMBL1428238 0.87 OPRM1 (0.44) CHRM3OPRM1OPRD1OPRK1LMNA
SCHEMBL7425414 0.86 TP53 (0.58) LMNATP53GAA
SCHEMBL244317 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1LMNASLC22A1
SCHEMBL1038462 0.84 CHRM3 (0.60) CHRM3SLC6A2LMNASLC6A4TSHR
SCHEMBL7421543 0.83 OPRM1 (0.47) OPRM1OPRD1OPRK1LMNASLC22A1
Hydrochloric Acid SCHEMBL8112617 0.81 ALDH1A1 (0.67) CHRM3LMNASLC22A1TSHR
SCHEMBL8189527 0.79 LMNA (0.41) CHRM3OPRM1SLC6A2OPRD1LMNA
SCHEMBL2987228 0.79 CHRM3 (0.54) CHRM3LMNATSHRTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
EP-2300464-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
WO-2009139709-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009139709-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA AND CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 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-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885OPRM1 50/4885SLC6A2 1962/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 CHRM3 1/4885OPRM1 43/4885SLC6A2 906/4885

“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.