SCHEMBL4240159

SCHEMBL4240159

CN1CCC(OC(=O)C(C)(c2ccc(Cl)cc2)C2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.54
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM1 P11229 2/20 0.45
MLNR O43193 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4242671 0.89 CHRM3 (0.55) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL4243579 0.89 CHRM3 (0.55) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL4239699 0.88 CHRM3 (0.54) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL14390375 0.88 CHRM3 (0.54) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL4245324 0.88 CHRM3 (0.70) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL13701451 0.88 CHRM3 (0.70) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL13701453 0.88 CHRM3 (0.70) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL4238831 0.86 CHRM3 (0.52) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL4245281 0.85 CHRM3 (0.66) CHRM3ALDH1A1CYP1A2CHRM1MLNR
SCHEMBL4244420 0.85 CHRM3 (0.51) CHRM3ALDH1A1CYP1A2CHRM1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-2013172-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 CHRM3 1/4885ALDH1A1 581/4885CYP1A2 472/4885

“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.