SCHEMBL4431076

SCHEMBL4431076

CC(CCCC=O)C(=O)NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.62

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
SCHEMBL6017506 0.86 CHRM3 (0.62) CHRM3
SCHEMBL6017517 0.84 CHRM3 (0.65) CHRM3
SCHEMBL1191468 0.83 CHRM3 (0.78) CHRM3
SCHEMBL274914 0.83 CHRM3 (0.78) CHRM3
SCHEMBL6017540 0.81 CHRM3 (0.61) CHRM3
SCHEMBL943440 0.81 CHRM3 (0.64) CHRM3
SCHEMBL4695047 0.81 CHRM3 (0.61) CHRM3
SCHEMBL3538110 0.79 CHRM3 (0.64) CHRM3
SCHEMBL266147 0.79 CHRM3 (0.80) CHRM3
SCHEMBL13590162 0.79 CHRM3 (0.89) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501442-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-03-10 US disclosed
EP-1723109-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087734-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203137-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 (1 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-20050203137-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 CHRM3 3/4885

“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.