SCHEMBL663342

SCHEMBL663342

COc1ccc(CO[Si](C)(C)C(C)(C)C)cc1NC(=O)CCc1ccc(-c2ccccc2)c(NC(=O)OC2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 17/20 0.49
ADRB2 P07550 2/20 0.47
LTB4R Q15722 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SLC2A1 P11166 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
SCHEMBL662457 0.96 CHRM3 (0.49) CHRM3ADRB2CHRM5CHRM1
SCHEMBL664711 0.92 CHRM3 (0.47) CHRM3ADRB2CHRM5CHRM1SLC2A1
SCHEMBL169769 0.91 CHRM3 (0.49) CHRM3ADRB2
SCHEMBL175770 0.91 CHRM3 (0.49) CHRM3CHRM1
SCHEMBL663614 0.90 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
SCHEMBL663695 0.88 CHRM3 (0.56) CHRM3ADRB2LTB4RCHRM5CHRM1
SCHEMBL99851 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 1/4885LTB4R 1339/4885

“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.