SCHEMBL1769385

SCHEMBL1769385

CN(C)CCC(=O)NC[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.42
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
DNM1 Q05193 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TERT O14746 2/20 0.36
GLO1 Q04760 1/20 0.35
SLC7A5 Q01650 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GSR P00390 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRIK1 P39086 1/20 0.35
GRM5 P41594 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 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
SCHEMBL1769386 1.00 GFPT1 (0.42) GFPT1SLC1A2SLC1A1DNM1NOS3
SCHEMBL2235184 0.83 OTC (0.43) SLC1A2SLC1A1DNM1NOS3NOS1
SCHEMBL2235189 0.83 OTC (0.43) SLC1A2SLC1A1DNM1NOS3NOS1
SCHEMBL13585163 0.81 GFPT1 (0.41) GFPT1SLC1A2SLC1A1GLO1SLC7A5
SCHEMBL13585160 0.81 GFPT1 (0.41) GFPT1SLC1A2SLC1A1GLO1SLC7A5
SCHEMBL2236159 0.80 OTC (0.55) SLC1A2SLC1A1DNM1NOS3NOS1
SCHEMBL2236164 0.80 OTC (0.55) SLC1A2SLC1A1DNM1NOS3NOS1
SCHEMBL8237015 0.79 GFPT1 (0.46) GFPT1SLC1A2SLC1A1NOS1SLC7A5
SCHEMBL13585097 0.78 GFPT1 (0.45) GFPT1SLC1A2SLC1A1SLC7A5GRM8
SCHEMBL13585101 0.78 GFPT1 (0.45) GFPT1SLC1A2SLC1A1SLC7A5GRM8

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 8 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
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 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 (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 GFPT1 3069/4885SLC1A2 2826/4885SLC1A1 3055/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1208/4885SLC1A2 842/4885SLC1A1 832/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GFPT1 1167/4885SLC1A2 734/4885SLC1A1 736/4885

“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.