SCHEMBL645125

SCHEMBL645125

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

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.73
CHRM3 P20309 19/20 0.65
ADRB2 P07550 1/20 0.65

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
SCHEMBL2460788 0.94 CHRM2 (0.72) CHRM2CHRM3ADRB2
SCHEMBL13430601 0.94 CHRM2 (0.76) CHRM2CHRM3ADRB2
SCHEMBL643545 0.93 CHRM2 (0.70) CHRM2CHRM3ADRB2
SCHEMBL644407 0.93 CHRM2 (0.74) CHRM2CHRM3ADRB2
SCHEMBL3763194 0.92 CHRM2 (0.73) CHRM2CHRM3ADRB2
SCHEMBL10279586 0.92 CHRM2 (0.73) CHRM2CHRM3ADRB2
SCHEMBL644563 0.92 CHRM2 (0.73) CHRM2CHRM3ADRB2
SCHEMBL3760989 0.92 CHRM2 (0.68) CHRM2CHRM3ADRB2
SCHEMBL644273 0.91 CHRM2 (0.76) CHRM2CHRM3ADRB2
SCHEMBL3131430 0.91 CHRM2 (0.71) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US claimed
US-20060281740-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-14 US claimed
US-8399488-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-03-19 US disclosed
US-20120122850-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-05-17 US disclosed
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 (4 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-20120122850-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.