SCHEMBL4100221

SCHEMBL4100221

COc1ccc(CN2CCNCC2)cc1-c1cc(CNC(=O)c2cccc(C#N)c2)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.66
CHRM2 P08172 2/20 0.64
CHRM1 P11229 2/20 0.64

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
SCHEMBL4108119 0.89 CHRM3 (0.77) CHRM3CHRM2CHRM1
SCHEMBL4099998 0.89 CHRM3 (0.62) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL4111555 0.86 CHRM3 (0.70) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL4099881 0.85 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL4109565 0.83 CHRM3 (0.66) CHRM3CHRM2CHRM1
SCHEMBL4110645 0.82 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL4106066 0.80 CHRM3 (1.00) CHRM3
SCHEMBL4104927 0.80 CHRM3 (0.81) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL4093666 0.79 CHRM3 (0.61) CHRM3CHRM2CHRM1
SCHEMBL4104416 0.78 CHRM3 (1.00) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 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-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM2 2/4885CHRM1 7/4885

“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.