SCHEMBL642706

SCHEMBL642706

Cc1cc(CNC(=O)c2ccncc2)ccc1C(=O)NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.54
ADRB2 P07550 2/20 0.54

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
SCHEMBL4751486 0.89 CHRM3 (0.55) CHRM3ADRB2
SCHEMBL643481 0.88 CHRM3 (0.53) CHRM3ADRB2
SCHEMBL4432812 0.85 CHRM3 (0.59) CHRM3ADRB2
SCHEMBL642707 0.83 CHRM2 (0.68) CHRM3ADRB2
SCHEMBL2641188 0.82 CHRM2 (0.56) CHRM3ADRB2
SCHEMBL643323 0.81 CHRM3 (0.69) CHRM3
SCHEMBL7000832 0.81 CHRM3 (0.60) CHRM3ADRB2
SCHEMBL12309455 0.81 CHRM3 (0.61) CHRM3ADRB2
SCHEMBL3761022 0.80 CHRM3 (0.66) CHRM3ADRB2
SCHEMBL644494 0.80 CHRM3 (0.58) 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 2/4885ADRB2 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.