SCHEMBL942053

SCHEMBL942053

CC1CC(O)CCN1Cc1ccc(C(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
CHRM3 P20309 19/20 0.53

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
SCHEMBL943475 0.87 CHRM2 (0.63) CHRM2CHRM3
SCHEMBL6102523 0.86 CHRM3 (0.53) CHRM3
SCHEMBL942051 0.86 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL644642 0.85 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL644264 0.84 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL1303373 0.84 CHRM2 (0.75) CHRM2CHRM3
SCHEMBL643300 0.83 CHRM2 (0.58) CHRM2CHRM3
SCHEMBL1302647 0.81 CHRM2 (0.55) CHRM2CHRM3
SCHEMBL3759672 0.80 CHRM3 (0.59) CHRM2CHRM3
SCHEMBL3766100 0.79 CHRM2 (0.57) CHRM2CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868175-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-01-11 US disclosed
US-20100041701-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-02-18 US disclosed
US-7629336-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-[2-((4-[4-(2-hydroxyethylcarbamoyl)piperidin-1-ylmethyl]benzoyl)methylamino)ethyl]piperidin-4-yl ester THERAVANCE, INC. (US) 2009-12-08 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-20100041701-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM3, CHRM1 CHRM2 1/4885CHRM3 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.