SCHEMBL6689555

SCHEMBL6689555

CNC(=O)OCCC(C)CC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
SLC7A5 Q01650 1/20 0.44
SLC1A1 P43005 6/20 0.41
SLC1A3 P43003 6/20 0.41
SLC1A2 P43004 6/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
NFKB1 P19838 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRNA7 P36544 1/20 0.40
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
GRIK1 P39086 1/20 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
SCHEMBL19900413 0.77 CHRNB2 (0.61) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL20718324 0.73 CHRNB2 (0.66) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9845087 0.72 GSR (0.43) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL9845084 0.72 GSR (0.43) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL2401455 0.71 CHRNB2 (0.56) CHRNB2CHRNA4SLC7A5SLC1A1SLC1A3
SCHEMBL199134 0.71 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL3383446 0.71 SLC1A2 (0.64) SLC7A5SLC1A1SLC1A3SLC1A2CHRM1
SCHEMBL13637616 0.71 CHRNB2 (0.63) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18229129 0.71 SLC1A2 (0.64) SLC7A5SLC1A1SLC1A3SLC1A2CHRM1
SCHEMBL18229136 0.71 SLC1A2 (0.64) SLC7A5SLC1A1SLC1A3SLC1A2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004070009-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME INC. (US) 2004-08-19 WO disclosed
EP-1401818-A2 TARGETED MULTIVALENT MACROMOLECULES Targesome, Inc. (US) 2004-03-31 EP disclosed
US-20030133972-A1 Targeted multivalent macromolecules TARGESOME, INC. 2003-07-17 US disclosed
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity TARGESOME, INC. 2003-07-10 US disclosed
WO-2002096367-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME, INC. (US) 2002-12-05 WO 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 (2 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-20030133972-A1 Targeted multivalent macromolecules CLTB, ILK, CD44 CHRNB2 2493/4885CHRNA4 4159/4885SLC7A5 1848/4885
US-20030129223-A1 Therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and atleast one targeting entity CD47, TSG101, ILK CHRNB2 4165/4885CHRNA4 4756/4885SLC7A5 2213/4885

“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.