SCHEMBL10013987

SCHEMBL10013987

CN(C)CCOP(B=O)OCCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL3032685 0.72 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL9533464 0.71 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL29350415 0.69
SCHEMBL11831916 0.69 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL19708014 0.65 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL19480772 0.65
SCHEMBL20924767 0.65 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL19480774 0.62 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL16501550 0.62 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL15091 0.60 CA12 (0.52) CHRM2CHRM4CHRM5CHRM1CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093352-B2 Polyalkylene oxide polyquaternary ammonium biocides ALCON RESEARCH, LTD. (US) 2012-01-10 US disclosed
US-20100158853-A1 POLYALKYLENE OXIDE POLYQUATERNARY AMMONIUM BIOCIDES ALCON INC. (CH) 2010-06-24 US disclosed

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-20100158853-A1 POLYALKYLENE OXIDE POLYQUATERNARY AMMONIUM BIOCIDES CBR3, QARS1, GLRA3 CHRM2 1426/4885CHRM4 2055/4885CHRM5 2186/4885

“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.