SCHEMBL1630607

SCHEMBL1630607

C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.73
CHRM2 P08172 6/20 0.73
CHRM1 P11229 6/20 0.73
KCNH2 Q12809 1/20 0.73

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
SCHEMBL13805515 0.93 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL12725399 0.93 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
Iodide SCHEMBL4243935 0.92 CHRM3 (0.62) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4215941 0.91 CHRM3 (0.79) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1632345 0.91 CHRM3 (0.60) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1630612 0.90 CHRM3 (0.58) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4218115 0.89 CHRM3 (0.72) CHRM3CHRM2CHRM1KCNH2
Trifluoroacetic Acid SCHEMBL4216002 0.88 CHRM3 (0.74) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1632140 0.88 CHRM3 (0.82) CHRM3CHRM2CHRM1KCNH2
SCHEMBL1633014 0.84 CHRM3 (1.00) 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 7 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-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
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
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 US disclosed
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM2 2/4885CHRM1 8/4885
US-20090142279-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.