SCHEMBL13585367

SCHEMBL13585367

COCCN(C)C(=O)C[C@H](N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.42
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SLC7A5 Q01650 1/20 0.38
GRIK2 Q13002 4/20 0.38
DDAH1 O94760 1/20 0.38
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
GRIA4 P48058 3/20 0.36
GRIK3 Q13003 3/20 0.36
GRIK5 Q16478 3/20 0.36
SLC1A1 P43005 3/20 0.36
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
GRIA2 P42262 2/20 0.35
GRIA1 P42261 1/20 0.35

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
SCHEMBL13585370 1.00 GRIK1 (0.42) GRIK1NOS3NOS1NOS2SLC7A5
SCHEMBL1768960 0.83 DDAH1 (0.46) GRIK1NOS3NOS1NOS2GRIK2
SCHEMBL1768958 0.83 DDAH1 (0.46) GRIK1NOS3NOS1NOS2GRIK2
SCHEMBL1768719 0.80 GRIK1 (0.46) GRIK1NOS3NOS1NOS2SLC7A5
SCHEMBL1768717 0.80 GRIK1 (0.46) GRIK1NOS3NOS1NOS2SLC7A5
SCHEMBL8584853 0.79 GRIK1 (0.39) GRIK1SLC7A5GRIK2DDAH1GRM1
SCHEMBL11890394 0.78 PIK3CD (0.45)
SCHEMBL1769498 0.77 NOS3 (0.47) GRIK1NOS3NOS1NOS2SLC7A5
SCHEMBL1769502 0.77 NOS3 (0.47) GRIK1NOS3NOS1NOS2SLC7A5
SCHEMBL13585513 0.76 GFPT1 (0.45) NOS3NOS1NOS2DDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 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 (3 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 GRIK1 1536/4885NOS3 4757/4885NOS1 4500/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GRIK1 2016/4885NOS3 3891/4885NOS1 3411/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GRIK1 2104/4885NOS3 3615/4885NOS1 3131/4885

“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.