SCHEMBL12725442

SCHEMBL12725442

C[C@H]1CN(Cc2cccc(-c3cccc(CNC(=O)c4cccc(CC5CCN(C)CC5)c4)c3)c2)CC[N+]1(C)C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.56
▸ CHRM2 P08172 3/20 0.55
▸ CHRM1 P11229 3/20 0.55
▸ KCNH2 Q12809 1/20 0.55

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
SCHEMBL12725449 0.92 CHRM3 (0.68) CHRM3CHRM2CHRM1KCNH2
SCHEMBL12725441 0.91 CHRM3 (0.66) CHRM3CHRM2CHRM1KCNH2
SCHEMBL12725440 0.88 CHRM3 (0.50) CHRM3CHRM2CHRM1KCNH2
SCHEMBL12725436 0.87 CHRM3 (0.74) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13805520 0.84 CHRM2 (0.70) CHRM3CHRM2CHRM1KCNH2
Bromide SCHEMBL4232753 0.84 CHRM2 (0.70) CHRM3CHRM2CHRM1KCNH2
SCHEMBL12725444 0.83 CHRM3 (0.80) CHRM3CHRM2CHRM1KCNH2
Bromide SCHEMBL4219549 0.83 CHRM3 (0.79) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13805511 0.82 CHRM3 (0.56) CHRM3CHRM2CHRM1KCNH2
SCHEMBL13805510 0.80 CHRM3 (0.72) CHRM3CHRM2CHRM1KCNH2

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-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 — — US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 — — 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM2 2/4885CHRM1 8/4885

“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.

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