SCHEMBL4244166

SCHEMBL4244166

CCOC(=O)C(C)(c1ccc(C)s1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.44
CHRM2 P08172 7/20 0.44
CHRM4 P08173 7/20 0.44
CHRM1 P11229 7/20 0.44
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 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
SCHEMBL4242560 0.85 CHRM3 (0.41) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL28781533 0.81 KEAP1 (0.38) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL4240216 0.81 KEAP1 (0.38) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL4250166 0.81 KEAP1 (0.38) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL4251203 0.80 CHRM3 (0.53) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4290654 0.78 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM1LMNA
SCHEMBL4241444 0.78 CHRM3 (0.46) CHRM3CHRM2CHRM4CHRM1ALDH1A1
Iodide SCHEMBL4238667 0.77 CHRM3 (0.63) CHRM3CHRM2CHRM4CHRM1LMNA
SCHEMBL10746796 0.70 MEN1 (0.37) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL6825405 0.70 ALDH1A1 (0.37) CHRM3CHRM2CHRM4CHRM1L3MBTL1

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
CN-101490003-A 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) 2009-07-22 CN 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

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 1/4885CHRM2 2/4885CHRM4 5/4885

“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.