SCHEMBL3128987

SCHEMBL3128987

COc1ccccc1CNCc1ccc(C(=O)CNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.56
CHRM2 P08172 1/20 0.52
ADRB2 P07550 1/20 0.52

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
SCHEMBL3131425 0.92 CHRM3 (0.59) CHRM3CHRM2
SCHEMBL3763192 0.89 CHRM3 (0.59) CHRM3
SCHEMBL644406 0.89 CHRM3 (0.64) CHRM3
SCHEMBL643546 0.89 CHRM3 (0.59) CHRM3CHRM2
SCHEMBL644611 0.88 CHRM3 (0.66) CHRM3
SCHEMBL645124 0.88 CHRM3 (0.60) CHRM3
SCHEMBL644562 0.88 CHRM3 (0.59) CHRM3
SCHEMBL3128994 0.87 CHRM2 (0.68) CHRM3CHRM2ADRB2
SCHEMBL644274 0.87 CHRM3 (0.61) CHRM3CHRM2
SCHEMBL643436 0.87 CHRM3 (0.59) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329911-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-11 US claimed
US-20100063096-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-03-11 US claimed
EP-1866284-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-12-19 EP claimed
WO-2006099167-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO claimed
US-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US claimed
US-8329911-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-11 US disclosed
US-20100063096-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-03-11 US disclosed
US-7642355-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(5-[4-(3-dimethylaminopropoxy)benzylamino]pentylcarbamoyl)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-01-05 US disclosed
EP-1866284-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-12-19 EP disclosed
WO-2006099167-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
US-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists 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 (2 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-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM2 1/4885ADRB2 17/4885
US-20100063096-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM2 1/4885ADRB2 17/4885

“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.