SCHEMBL941886

SCHEMBL941886

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(=O)NCc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.78
CHRM3 P20309 17/20 0.58
ADRB2 P07550 1/20 0.58
SLC2A1 P11166 2/20 0.49

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
SCHEMBL942153 0.96 CHRM2 (0.81) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL644736 0.93 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL1302816 0.92 CHRM2 (0.85) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL646748 0.91 CHRM2 (0.72) CHRM2CHRM3ADRB2
SCHEMBL942556 0.91 CHRM2 (0.81) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL1303125 0.90 CHRM2 (0.80) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL1303025 0.90 CHRM2 (0.84) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL31221643 0.89 CHRM2 (0.88) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL942211 0.89 CHRM2 (0.88) CHRM2CHRM3ADRB2SLC2A1
SCHEMBL3763194 0.89 CHRM2 (0.73) CHRM2CHRM3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856112-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-11-21 EP claimed
WO-2006099032-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO claimed
US-20060205775-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 US claimed
US-8501776-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-20110071190-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-03-24 US disclosed
US-7868175-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-01-11 US disclosed
US-20100041701-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-02-18 US disclosed
US-7629336-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-((4-[4-(2-hydroxyethylcarbamoyl)piperidin-1-ylmethyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-08 US disclosed
US-20060205775-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 (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-20060205775-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 CHRM2 1/4885CHRM3 2/4885ADRB2 22/4885
US-20100041701-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM1 CHRM2 1/4885CHRM3 2/4885ADRB2 22/4885
US-20110071190-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM1 CHRM2 1/4885CHRM3 2/4885ADRB2 22/4885

“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.