SCHEMBL4099998

SCHEMBL4099998

COc1ccc(-c2cc(CNC(=O)c3cccc(C#N)c3)ccc2F)cc1CN1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.62
CHRM2 P08172 5/20 0.62
CHRM1 P11229 5/20 0.62
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
KCNH2 Q12809 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL4099881 0.96 CHRM3 (0.58) CHRM3CHRM2CHRM1DRD2DRD1
SCHEMBL4109565 0.91 CHRM3 (0.66) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4100221 0.89 CHRM3 (0.66) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL4093666 0.87 CHRM3 (0.61) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4108119 0.85 CHRM3 (0.77) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL4111555 0.82 CHRM3 (0.70) CHRM3CHRM2CHRM1
Trifluoroacetic Acid SCHEMBL4096019 0.80 CHRM3 (0.71) CHRM3CHRM2CHRM1
SCHEMBL13655684 0.78 CHRM3 (0.79) CHRM3CHRM2CHRM1
SCHEMBL4104416 0.77 CHRM3 (1.00) CHRM3CHRM2CHRM1KCNH2
SCHEMBL4104927 0.76 CHRM3 (0.81) 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 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 claimed

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.