SCHEMBL661534

SCHEMBL661534

Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)c(NC(=O)OC3CCN(C)CC3)c2)ccc1CO

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.55
ADRB2 P07550 2/20 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
SCHEMBL661552 0.92 CHRM3 (0.53) CHRM3ADRB2
SCHEMBL664088 0.91 CHRM3 (0.54) CHRM3
SCHEMBL662760 0.91 CHRM3 (0.54) CHRM3ADRB2
SCHEMBL662193 0.90 CHRM3 (0.60) CHRM3
SCHEMBL170205 0.89 CHRM3 (0.48) CHRM3ADRB2
SCHEMBL662751 0.88 CHRM3 (0.52) CHRM3ADRB2
Iodide SCHEMBL101246 0.88 CHRM3 (0.43) CHRM3ADRB2
SCHEMBL660924 0.88 CHRM3 (0.55) CHRM3
SCHEMBL663625 0.88 CHRM3 (0.53) CHRM3ADRB2
SCHEMBL663271 0.87 CHRM3 (0.58) 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 1/4885

“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.