SCHEMBL3535799

SCHEMBL3535799

COC(CCN1CCN(CCCO[Si](C)(C)C(C)(C)C)C1=O)OC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.41
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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
SCHEMBL5244981 0.85 DUT (0.41) DUTPARP1PARP2
SCHEMBL5244775 0.72 DUT (0.37) DUT
SCHEMBL3536122 0.71 DUT (0.49) DUTPARP1PARP2
SCHEMBL28523658 0.71 DUT (0.46) DUT
SCHEMBL6161985 0.71 DUT (0.43) DUTPARP1PARP2
SCHEMBL1632352 0.70 DUT (0.45) DUTPARP1PARP2
SCHEMBL8865301 0.70 DUT (0.44) DUTPARP1PARP2
SCHEMBL28437904 0.68 DUT (0.46) DUTPARP1PARP2
SCHEMBL21389208 0.67 DUT (0.38) DUT
SCHEMBL1633091 0.67 DUT (0.41) DUTPARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137325-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-06-03 US disclosed
US-7683173-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-03-23 US disclosed
US-20090076026-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-19 US disclosed
US-7479562-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-01-20 US disclosed
EP-1856049-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-11-21 EP disclosed
WO-2006099031-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
US-20060205946-A1 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects of dry-mouth and constipation; biphenyl carbamate derivatives; biphenyl-2-ylcarbamic acid 1-(3-(3-[3-(4-hydroxybenzylamino)propyl]-2-oxoimidazolidin-1-yl)propyl)piperidin-4-yl ester THERAVANCE, INC. 2006-09-14 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 (3 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-20090076026-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 DUT 2401/4885PARP1 3627/4885PARP2 3434/4885
US-20100137325-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 DUT 2401/4885PARP1 3627/4885PARP2 3434/4885
US-20060205946-A1 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects of dry-mouth and constipation; biphenyl carbamate derivatives; biphenyl-2-ylcarbamic acid 1-(3-(3-[3-(4-hydroxybenzylamino)propyl]-2-oxoimidazolidin-1-yl)propyl)piperidin-4-yl ester CHRM3, CHRM2, CHRM1 DUT 1652/4885PARP1 2451/4885PARP2 2358/4885

“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.