SCHEMBL663163

SCHEMBL663163

CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)CCc2ccc(-c3ccccc3)c(NC(=O)OC3CCN(CCOc4ccccc4)CC3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
CHRM3 P20309 18/20 0.45

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
SCHEMBL169855 0.90 CHRM3 (0.51) CHRM3
SCHEMBL663217 0.88 EPHX2 (0.51) EPHX2CHRM3
SCHEMBL663707 0.86 CHRM3 (0.50) CHRM3
SCHEMBL99851 0.86 CHRM3 (0.48) CHRM3
SCHEMBL99012 0.85 CHRM3 (0.51) CHRM3
SCHEMBL170205 0.83 CHRM3 (0.48) CHRM3
SCHEMBL101212 0.82 CHRM3 (0.52) CHRM3
SCHEMBL97973 0.82 CHRM3 (0.49) CHRM3
SCHEMBL662441 0.82 CHRM3 (0.47) CHRM3
SCHEMBL174745 0.82 CHRM3 (0.47) CHRM3

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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 EPHX2 2977/4885CHRM3 9/4885

“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.