SCHEMBL662457

SCHEMBL662457

COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1NC(=O)CCc1ccc(-c2ccccc2)c(NC(=O)OC2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.49
ADRB2 P07550 4/20 0.44
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
LCK P06239 1/20 0.39
SRC P12931 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL664711 0.96 CHRM3 (0.47) CHRM3ADRB2CHRM5CHRM1
SCHEMBL663342 0.96 CHRM3 (0.49) CHRM3ADRB2CHRM5CHRM1
SCHEMBL175770 0.92 CHRM3 (0.49) CHRM3CHRM1
SCHEMBL169769 0.92 CHRM3 (0.49) CHRM3ADRB2
SCHEMBL663614 0.92 CHRM3 (0.49) CHRM3ADRB2
SCHEMBL169855 0.90 CHRM3 (0.51) CHRM3
SCHEMBL663010 0.90 CHRM3 (0.46) CHRM3ADRB2
SCHEMBL176528 0.89 CHRM3 (0.46) CHRM3ADRB2CHRM5CHRM1
SCHEMBL663351 0.88 CHRM3 (0.56) CHRM3ADRB2CHRM5CHRM1
SCHEMBL175263 0.88 CHRM3 (0.48) 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 CHRM3 9/4885ADRB2 1/4885CHRM5 20/4885

“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.