SCHEMBL943398

SCHEMBL943398

O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNCC(=O)c2ccc(CN3CCC(O)C3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.55

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
SCHEMBL942603 0.90 CHRM3 (0.56) CHRM3
SCHEMBL642876 0.89 CHRM3 (0.55) CHRM3
SCHEMBL942048 0.89 CHRM3 (0.56) CHRM3
SCHEMBL29949485 0.89 CHRM2 (0.59) CHRM3
SCHEMBL643521 0.89 CHRM3 (0.56) CHRM3
SCHEMBL1302680 0.89 CHRM2 (0.59) CHRM3
SCHEMBL942670 0.89 CHRM3 (0.53) CHRM3
SCHEMBL643346 0.88 CHRM3 (0.56) CHRM3
SCHEMBL1304658 0.87 CHRM3 (0.51) CHRM3
SCHEMBL1304661 0.87 CHRM3 (0.51) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868175-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-01-11 US claimed
US-20100041701-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-02-18 US 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 CHRM3 2/4885
US-20100041701-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM1 CHRM3 2/4885
US-20110071190-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM1 CHRM3 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.