SCHEMBL4243455

SCHEMBL4243455

CC(C(=O)O)(c1ccccc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CHRM3 P20309 12/20 0.49
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CHRM2 P08172 6/20 0.46
CHRM4 P08173 6/20 0.46
CHRM1 P11229 6/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GLA P06280 1/20 0.44
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL4243228 1.00 KEAP1 (0.50) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL27749385 1.00 KEAP1 (0.50) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL14587261 0.92 KEAP1 (0.56) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL4213705 0.92 KEAP1 (0.61) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL4203592 0.92 KEAP1 (0.61) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL4203042 0.92 KEAP1 (0.61) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL2788610 0.91 KEAP1 (0.59) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL9944022 0.88 MEN1 (0.57) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL22758114 0.85 MAPT (0.55) KEAP1NFE2L2CHRM3CYP2C19CYP2C9
SCHEMBL7550366 0.83 MEN1 (0.44) CHRM3CYP2C19CYP2C9MAPTKMT2A

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 8 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
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
US-3898271-A Cyclopropylmethylphenylacetic acids and derivatives SQUIBB & SONS INC 1975-08-05 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 (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 KEAP1 3069/4885NFE2L2 3953/4885CHRM3 1/4885

“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.