SCHEMBL663673

SCHEMBL663673

COc1cc(NC(=O)CCCCc2ccc(-c3ccccc3)c(NC(=O)OC3CCN(C)CC3)c2)c(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.44
ADRB2 P07550 7/20 0.44
CHRM2 P08172 1/20 0.44
SLC2A1 P11166 2/20 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
SCHEMBL132259 0.98 CHRM3 (0.45) CHRM3ADRB2CHRM2
SCHEMBL663010 0.95 CHRM3 (0.46) CHRM3ADRB2CHRM2
SCHEMBL662044 0.92 CHRM3 (0.43) CHRM3ADRB2CHRM2
SCHEMBL663226 0.90 CHRM3 (0.44) CHRM3ADRB2CHRM2SLC2A1
SCHEMBL176322 0.90 CHRM3 (0.44) CHRM3ADRB2SLC2A1
SCHEMBL98939 0.89 CHRM3 (0.43) CHRM3ADRB2CHRM2
SCHEMBL98938 0.89 CHRM3 (0.43) CHRM3ADRB2CHRM2
SCHEMBL98940 0.89 CHRM3 (0.43) CHRM3ADRB2CHRM2
SCHEMBL663959 0.89 CHRM3 (0.46) CHRM3ADRB2
SCHEMBL99016 0.89 CHRM3 (0.45) CHRM3ADRB2CHRM2SLC2A1

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.