SCHEMBL649842

SCHEMBL649842

CCCNCc1ccc(CCNCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.69

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
SCHEMBL266011 0.90 CHRM3 (0.71) CHRM3
SCHEMBL644611 0.89 CHRM3 (0.66) CHRM3
SCHEMBL2508176 0.87 CHRM3 (0.70) CHRM3
SCHEMBL649841 0.87 CHRM3 (0.64) CHRM3
SCHEMBL2460788 0.86 CHRM2 (0.72) CHRM3
SCHEMBL649840 0.86 CHRM3 (0.66) CHRM3
SCHEMBL3760988 0.86 CHRM3 (0.56) CHRM3
SCHEMBL644696 0.85 CHRM3 (0.62) CHRM3
SCHEMBL3771972 0.85 CHRM3 (0.63) CHRM3
SCHEMBL3765657 0.85 CHRM3 (0.56) 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 2 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

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-20110281851-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM5 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.