SCHEMBL10000699

SCHEMBL10000699

N[C@H](CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
GSR P00390 2/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43

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
SCHEMBL26124704 1.00 HSD17B10 (0.48) HSD17B10GSRGRM8GRM6GRIN2D
SCHEMBL26124700 1.00 HSD17B10 (0.48) HSD17B10GSRGRM8GRM6GRIN2D
SCHEMBL10000693 0.90 CHRM5 (0.41) HSD17B10GSRGRM8GRM6GRIN2D
SCHEMBL17182778 0.87 ANPEP (0.41) HSD17B10GRM8GRM6GRM7GRM4
Tetraxetan SCHEMBL13728878 0.82 HSD17B10 (0.47) HSD17B10GSRGRM8GRM6GRIN2D
SCHEMBL28693150 0.82 HSD17B10 (0.45) HSD17B10GSRGRM8GRM6GRIN2D
SCHEMBL18970213 0.82 HSD17B10 (0.45) HSD17B10GSRGRM8GRM6GRIN2D
SCHEMBL25661087 0.81 DPP7 (0.52) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL5322593 0.81 DPP7 (0.52) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL12128836 0.80 GAA (0.43) GSRGRM8GRM6GRIN2DGRIN3B

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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF SNU R&DB FOUNDATION (KR) 2012-02-02 US disclosed
US-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF SNU R&DB FOUNDATION (KR) 2012-02-02 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-20120029177-A1 HETEROCYCLE-AMINO ACID DERIVATIVES FOR TARGETING CANCER TISSUE AND RADIOACTIVE OR NON-RADIOACTIVE LABELED COMPOUNDS THEREOF DDC, AAAS, DNPEP HSD17B10 3217/4885GSR 3581/4885GRM8 4429/4885

“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.