SCHEMBL645318

SCHEMBL645318

CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN(C)C2CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.74
CHRM3 P20309 17/20 0.61
ADRB2 P07550 1/20 0.59
SLC2A1 P11166 2/20 0.57

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
SCHEMBL643165 0.91 CHRM2 (0.75) CHRM2CHRM3ADRB2
SCHEMBL24906748 0.91 CHRM2 (0.79) CHRM2CHRM3ADRB2
SCHEMBL643435 0.90 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL644910 0.90 CHRM2 (0.79) CHRM2CHRM3ADRB2
SCHEMBL644610 0.90 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL19996286 0.90 CHRM2 (0.78) CHRM2CHRM3ADRB2
SCHEMBL10279243 0.90 CHRM2 (0.73) CHRM2CHRM3ADRB2
SCHEMBL645742 0.89 CHRM2 (0.80) CHRM2CHRM3ADRB2
SCHEMBL643381 0.89 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL13430601 0.89 CHRM2 (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119796-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-11-17 US disclosed
US-8013152-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-06 US disclosed
US-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-14 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-20100197667-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 CHRM2 1/4885CHRM3 2/4885ADRB2 10/4885
US-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 CHRM2 1/4885CHRM3 2/4885ADRB2 10/4885
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM3, CHRM5 CHRM2 1/4885CHRM3 2/4885ADRB2 10/4885

“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.