SCHEMBL5526445

SCHEMBL5526445

CN1CCCN(C(=O)c2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.75
CHRM1 P11229 1/20 0.59
AURKA O14965 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ROCK2 O75116 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
MMP13 P45452 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL13649186 0.96 CHRM3 (0.80) CHRM3CHRM1AURKAALDH1A1MEN1
SCHEMBL13649185 0.87 CHRM3 (0.95) CHRM3CHRM1
SCHEMBL4098455 0.85 CHRM3 (1.00) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5525503 0.81 CHRM3 (0.64) CHRM3CHRM1AURKAMEN1LMNA
SCHEMBL4050432 0.80 CHRM3 (0.70) CHRM3CHRM1AURKAALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL5525505 0.79 CHRM3 (0.62) CHRM3CHRM1AURKA
Trifluoroacetic Acid SCHEMBL4098047 0.78 CHRM3 (0.88) CHRM3CHRM1
SCHEMBL5530860 0.78 CHRM3 (1.00) CHRM3CHRM1
SCHEMBL14435017 0.75 CHRM3 (0.98) CHRM3CHRM1
SCHEMBL4093955 0.74 CHRM3 (1.00) CHRM3CHRM1

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 3 patents. 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
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 US disclosed
US-20070179131-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-08-02 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-20070179131-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM1 8/4885AURKA 3442/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM1 7/4885AURKA 1968/4885

“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.