SCHEMBL4098017

SCHEMBL4098017

CCOc1cccc(N(Cc2cccc(-c3cccc(CN4CCN[C@@H](C)C4)n3)c2)C(=O)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.48
MLNR O43193 17/20 0.43

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
SCHEMBL4100249 0.88 CHRM3 (0.52) CHRM3MLNR
SCHEMBL4106114 0.86 CHRM3 (0.51) CHRM3MLNR
SCHEMBL1632569 0.85 CHRM3 (0.48) CHRM3MLNR
SCHEMBL4093633 0.84 CHRM3 (0.50) CHRM3MLNR
Trifluoroacetic Acid SCHEMBL4098012 0.80 CHRM3 (0.65) CHRM3
SCHEMBL4112235 0.79 CHRM3 (0.71) CHRM3
SCHEMBL4098306 0.73 CHRM3 (0.61) CHRM3
SCHEMBL4107290 0.72 CHRM3 (0.53) CHRM3MLNR
Trifluoroacetic Acid SCHEMBL4100245 0.70 CHRM3 (0.69) CHRM3
SCHEMBL1631096 0.70 CHRM3 (0.49) CHRM3MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725236-A4 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-05-13 EP claimed
EP-1725236-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
WO-2005087236-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-09-22 WO claimed
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 1/4885MLNR 329/4885

“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.