SCHEMBL274909

SCHEMBL274909

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CC(=O)NCCN

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.68
CHRM2 P08172 1/20 0.60

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
SCHEMBL266143 0.86 CHRM2 (0.71) CHRM3CHRM2
SCHEMBL380736 0.86 CHRM3 (0.75) CHRM3
Hydrochloric Acid SCHEMBL381304 0.85 CHRM3 (0.74) CHRM3
SCHEMBL266376 0.84 CHRM2 (0.64) CHRM3CHRM2
SCHEMBL266133 0.84 CHRM3 (0.62) CHRM3CHRM2
SCHEMBL265206 0.84 CHRM2 (0.64) CHRM3CHRM2
SCHEMBL12200733 0.84 CHRM3 (0.74) CHRM3CHRM2
SCHEMBL694382 0.84 CHRM3 (0.75) CHRM3
SCHEMBL264846 0.84 CHRM3 (0.61) CHRM3CHRM2
SCHEMBL19215604 0.83 CHRM3 (0.75) 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-8487107-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-07-16 US disclosed
US-8133905-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-03-13 US disclosed
US-8124627-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-02-28 US disclosed
US-20100125079-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-05-20 US disclosed
US-20100093753-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-04-15 US disclosed
US-7687519-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-03-30 US disclosed
US-20100056541-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-03-04 US disclosed
US-7659403-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-[methyl(3-(2-[(thiophen-2-ylmethyl)amino]ethylcarbamoyl)benzoyl)amino]ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-02-09 US disclosed
US-7632847-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-(3-[3-(4-hydroxybenzylamino)propionylamino]benzoylamino)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-15 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 (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-20100056541-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM2 1/4885
US-20100093753-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM2 1/4885
US-20100125079-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CHRM2 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.