SCHEMBL6417650

SCHEMBL6417650

CC(C)(C)OC(=O)N1CCC(COC(=O)Nc2ccccc2-c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.52
USP30 Q70CQ3 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL6223314 0.92 CHRM3 (0.45) CHRM3RAF1BRAF
SCHEMBL6414749 0.89 CHRM3 (0.46) CHRM3RAF1BRAF
SCHEMBL6227746 0.89 CHRM3 (0.47) CHRM3RAF1BRAF
SCHEMBL6415573 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1RAF1BRAF
SCHEMBL6226880 0.89 CHRM3 (0.50) CHRM3RAF1BRAF
SCHEMBL6416937 0.89 CHRM3 (0.49) CHRM3RAF1BRAF
SCHEMBL6414791 0.89 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL6227008 0.88 CHRM3 (0.47) CHRM3RAF1BRAF
SCHEMBL6415636 0.88 CHRM3 (0.46) CHRM3RAF1BRAF
SCHEMBL6419489 0.88 RAF1 (0.45) CHRM3RAF1BRAF

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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 CHRM3 1/4885USP30 1800/4885CHRM2 2/4885

“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.