SCHEMBL3559488

SCHEMBL3559488

COc1cc(CNCc2cccc(CNC(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.61
ADRB2 P07550 14/20 0.61
CHRM2 P08172 1/20 0.53

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
SCHEMBL3533429 0.90 CHRM3 (0.60) CHRM3ADRB2
SCHEMBL3570391 0.90 CHRM3 (0.57) CHRM3ADRB2
SCHEMBL265828 0.88 CHRM3 (0.61) CHRM3ADRB2CHRM2
SCHEMBL644791 0.86 CHRM3 (0.64) CHRM3
SCHEMBL644474 0.86 CHRM3 (0.63) CHRM3
SCHEMBL645068 0.86 CHRM3 (0.56) CHRM3
SCHEMBL3566554 0.86 CHRM3 (0.57) CHRM3ADRB2
SCHEMBL265094 0.85 CHRM3 (0.57) CHRM3ADRB2CHRM2
SCHEMBL3557723 0.85 CHRM3 (0.56) CHRM3ADRB2
SCHEMBL3537554 0.85 CHRM3 (0.59) CHRM3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456199-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US claimed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US claimed
US-7858795-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2009-02-19 US disclosed
US-7456199-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
EP-1723110-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087735-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 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-20090048299-A1 or anticholinergic agents such as biphenyl-2-ylcarbamic acid 1-[2-({6-[(4-hydroxybenzylamino)methyl]pyridin-2-ylmethyl}carbamoyl)ethyl]piperidin-4-yl ester, used for the treatment of respiratory system disorders such as chronic obstructive pulmonary disease and asthma CHRM1, CHRM2, CHRM3 CHRM3 3/4885ADRB2 16/4885CHRM2 2/4885
US-20050203139-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 CHRM3 3/4885ADRB2 14/4885CHRM2 2/4885

“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.