SCHEMBL5076646

SCHEMBL5076646

CCCCNC(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.64
OTC P00480 1/20 0.51
CASP2 P42575 1/20 0.50
DPP7 Q9UHL4 2/20 0.49
NAAA Q02083 1/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GSR P00390 1/20 0.47
CYP1A2 P05177 1/20 0.47
GRIK1 P39086 1/20 0.47
GRM5 P41594 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47

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
SCHEMBL5076647 1.00 NOD1 (0.64) NOD1OTCCASP2DPP7NAAA
SCHEMBL13176611 0.95 NOD1 (0.64) NOD1OTCCASP2DPP7NAAA
SCHEMBL27717842 0.93 NOD1 (0.66) NOD1OTCCASP2DPP7NAAA
SCHEMBL27620827 0.93 NOD1 (0.66) NOD1OTCCASP2DPP7NAAA
SCHEMBL6698108 0.93 NOD1 (0.66) NOD1OTCCASP2DPP7NAAA
SCHEMBL24339814 0.92 NOD1 (0.71) NOD1OTCCASP2DPP7DDAH1
SCHEMBL24339405 0.92 NOD1 (0.71) NOD1OTCCASP2DPP7DDAH1
SCHEMBL14519216 0.89 NOD1 (0.52) NOD1OTCSLC1A3SLC1A2SLC1A1
SCHEMBL13785511 0.89 NOD1 (0.52) NOD1OTCSLC1A3SLC1A2SLC1A1
SCHEMBL16860752 0.88 NOD1 (0.67) NOD1OTCCASP2DPP7NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP NOD1 314/4885OTC 3082/4885CASP2 1105/4885

“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.