SCHEMBL643688

SCHEMBL643688

COc1cc(CN2CCNC(=O)C2)ccc1C(=O)CNCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.50
SLC2A1 P11166 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRB2 P07550 1/20 0.46

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
SCHEMBL643048 0.91 CHRM3 (0.51) CHRM3SLC2A1ADRB2
SCHEMBL643140 0.88 CHRM3 (0.59) CHRM3
SCHEMBL643689 0.87 CHRM2 (0.58) CHRM3SLC2A1CHRM2ADRB2
SCHEMBL1304019 0.86 CHRM2 (0.63) CHRM3SLC2A1CHRM2
SCHEMBL644012 0.85 CHRM3 (0.56) CHRM3
SCHEMBL643642 0.85 CHRM3 (0.56) CHRM3ADRB2
SCHEMBL644726 0.82 CHRM3 (0.58) CHRM3
SCHEMBL3764428 0.82 CHRM3 (0.52) CHRM3ADRB2
SCHEMBL942254 0.79 CHRM3 (0.57) CHRM3CHRM2
SCHEMBL643348 0.79 CHRM2 (0.74) CHRM3CHRM2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US claimed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US claimed
EP-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP claimed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO claimed
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-14 US claimed
US-8399488-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-03-19 US disclosed
US-20120122850-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-05-17 US disclosed
US-8119796-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
EP-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP disclosed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO disclosed
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-14 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 (4 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-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 CHRM3 2/4885SLC2A1 4729/4885CHRM2 1/4885
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 CHRM3 2/4885SLC2A1 4729/4885CHRM2 1/4885
US-20120122850-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 CHRM3 2/4885SLC2A1 4729/4885CHRM2 1/4885
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM5 CHRM3 2/4885SLC2A1 4729/4885CHRM2 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.