SCHEMBL660876

SCHEMBL660876

COc1cc(NC(=O)CCCc2ccc(-c3ccccc3)c(NC(=O)OC3CCN(C)CC3)c2)c(Cl)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.50
ADRB2 P07550 6/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL661329 0.96 CHRM3 (0.51) CHRM3ADRB2CHRM2
SCHEMBL663123 0.93 CHRM3 (0.49) CHRM3ADRB2CHRM2
SCHEMBL663559 0.91 CHRM3 (0.50) CHRM3ADRB2
SCHEMBL100308 0.90 CHRM3 (0.47) CHRM3ADRB2CHRM2
SCHEMBL132259 0.90 CHRM3 (0.45) CHRM3ADRB2CHRM2
Iodide SCHEMBL661743 0.89 CHRM3 (0.44) CHRM3ADRB2CHRM2
SCHEMBL662751 0.89 CHRM3 (0.52) CHRM3ADRB2
SCHEMBL663673 0.88 CHRM3 (0.44) CHRM3ADRB2CHRM2
SCHEMBL661698 0.88 CHRM3 (0.55) CHRM3ADRB2
SCHEMBL661981 0.88 CHRM3 (0.55) CHRM3ADRB2

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 1/4885CHRM2 15/4885

“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.