SCHEMBL4240183

SCHEMBL4240183

CCOC(=O)C(c1ccc([Si](C)(C)C)s1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 5/20 0.40
TSHR P16473 4/20 0.40
SLC6A4 P31645 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL8487679 0.81 TSHR (0.43) KDM4EL3MBTL1MEN1GAAKMT2A
SCHEMBL4245904 0.75 SLC6A2 (0.45) KDM4EL3MBTL1MEN1KMT2ASLC6A3
SCHEMBL8486695 0.74 TSHR (0.47) KDM4EL3MBTL1MEN1GAAKMT2A
SCHEMBL14862646 0.71 KDM4E (0.57) KDM4EL3MBTL1MEN1GAAKMT2A
SCHEMBL28632940 0.71 SLC6A2 (0.67) L3MBTL1MEN1KMT2ASLC6A3SLC6A2
SCHEMBL10955574 0.70 SLC6A2 (0.70) L3MBTL1MEN1KMT2ASLC6A3SLC6A2
SCHEMBL14862650 0.69 SLC6A3 (0.46) KDM4EL3MBTL1SLC6A3SLC6A2TSHR
SCHEMBL11932077 0.69 SLC6A3 (0.51) MEN1GAAKMT2ASLC6A3SLC6A2
SCHEMBL11366829 0.68 SLC6A3 (0.48) KDM4EL3MBTL1MEN1GAAKMT2A
SCHEMBL4242560 0.68 CHRM3 (0.41) KDM4EMEN1GAAKMT2ASLC6A3

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 3 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
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 KDM4E 1701/4885L3MBTL1 3108/4885MEN1 3203/4885

“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.