Sugi Predict

Sugi Predict / Compounds / SCHEMBL4244394

SCHEMBL4244394

SCHEMBL4244394

COC(=O)C(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 12/20 0.43
▸ CHRM2 P08172 6/20 0.40
▸ CHRM4 P08173 6/20 0.40
▸ CHRM1 P11229 6/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ PREP P48147 4/20 0.39
▸ SLC6A2 P23975 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL4242894 0.83 CHRM3 (0.48) CHRM3CHRM2CHRM4CHRM1CYP19A1
SCHEMBL4242254 0.80 CHRM3 (0.48) CHRM3CHRM2CHRM4CHRM1SLC6A2
SCHEMBL3553408 0.77 CHRM3 (0.48) CHRM3CHRM2CHRM4CHRM1CYP19A1
SCHEMBL4241540 0.77 CHRM3 (0.51) CHRM3CHRM2CHRM4CHRM1SLC6A2
SCHEMBL2655676 0.77 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL4208886 0.77 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM1ALDH1A1
SCHEMBL12612193 0.76 CHRM3 (0.43) CHRM3CHRM2CHRM4CHRM1CYP19A1
SCHEMBL3543912 0.74 PREP (0.38) PREPCA12CA1CA9ALDH1A1
SCHEMBL3543913 0.74 PREP (0.38) PREPCA12CA1CA9ALDH1A1
SCHEMBL4245314 0.74 CHRM3 (0.60) CHRM3CHRM2CHRM4CHRM1ALDH1A1

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 4 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
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.