SCHEMBL16172020

SCHEMBL16172020

CN(C)CCOC(=O)N(CCO)CCO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.63
CHRNA4 P43681 3/20 0.63
CHRM1 P11229 3/20 0.63
CHRM2 P08172 2/20 0.63
CHRM4 P08173 2/20 0.63
CHRM5 P08912 2/20 0.63
CHRM3 P20309 2/20 0.63
MAPT P10636 3/20 0.44
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
DNM1 Q05193 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
BCHE P06276 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL11747716 0.85 CHRNB2 (0.65) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL14433146 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL2822780 0.82 CHRNB2 (0.40) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL11234761 0.81 CHRM1 (0.65) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL18346305 0.79 CHRM1 (0.63) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL14005175 0.78 CHRNB2 (0.38) CHRNB2CHRNA4CHRM1CHRM2CHRM4
2-(Dimethylamino)Ethyl Dimethylcarbamate SCHEMBL11833151 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL16172023 0.78 CHRM1 (0.61) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL13448559 0.77 CHRNB2 (0.37) CHRNB2CHRNA4CHRM1CHRM2CHRM4
2-(Dimethylamino)Ethyl Dimethylcarbamate SCHEMBL11832882 0.76 CHRNB2 (0.95) CHRNB2CHRNA4CHRM1CHRM2CHRM4

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-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. 2014-10-16 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-20140308304-A1 LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS NPC1L1, NPC1, CETP CHRNB2 4162/4885CHRNA4 4407/4885CHRM1 4872/4885

“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.