SCHEMBL12415542

SCHEMBL12415542

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(c3ccccc3)CCCCCC1)C2)Nc1ncccc1F

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.76

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
Hydrochloric Acid SCHEMBL1428897 1.00 CHRM3 (0.76) CHRM3
Hydrochloric Acid SCHEMBL2189133 1.00 CHRM3 (0.76) CHRM3
Hydrochloric Acid SCHEMBL2189969 0.88 CHRM3 (0.64) CHRM3
Hydrochloric Acid SCHEMBL2189973 0.88 CHRM3 (0.64) CHRM3
Bromide SCHEMBL1428265 0.87 CHRM3 (0.61) CHRM3
Hydrochloric Acid SCHEMBL1820572 0.86 CHRM3 (0.77) CHRM3
SCHEMBL524890 0.86 CHRM3 (0.77) CHRM3
Bromide SCHEMBL1427944 0.86 CHRM3 (0.62) CHRM3
SCHEMBL524889 0.86 CHRM3 (0.77) CHRM3
Hydrochloric Acid SCHEMBL1820742 0.86 CHRM3 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 US disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 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 (2 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-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 CHRM3 1/4885

“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.