SCHEMBL1768889

SCHEMBL1768889

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.48
▸ OTC P00480 1/20 0.47
▸ GRIK1 P39086 2/20 0.39
▸ GRIK2 Q13002 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ SLC1A3 P43003 2/20 0.39
▸ SLC1A2 P43004 2/20 0.39
▸ SLC1A1 P43005 2/20 0.39
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ PAOX Q6QHF9 2/20 0.38
▸ RRM1 P23921 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.38

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
SCHEMBL1768892 1.00 GSR (0.48) GSROTCGRIK1GRIK2GRM1
SCHEMBL17451658 0.94 GSR (0.52) GSROTCGRIK1GRIK2GRM1
SCHEMBL1768730 0.88 OTC (0.42) GSROTCGRIK1GRIK2GRM1
SCHEMBL1768732 0.88 OTC (0.42) GSROTCGRIK1GRIK2GRM1
SCHEMBL30050875 0.85 OTC (0.41) GSROTCGRIK1GRIK2GRM1
SCHEMBL18350239 0.83 OTC (0.58) GSROTCDPP7NOD1
SCHEMBL13585143 0.81 KDM4E (0.47) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL1769507 0.81 GSR (0.55) GSROTCGRIK1GRIK2GRM1
SCHEMBL13585140 0.81 KDM4E (0.47) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL1769511 0.81 GSR (0.55) GSROTCGRIK1GRIK2GRM1

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 11 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
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 — — EP disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 — — EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 — — WO disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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 GSR 4018/4885OTC 4591/4885GRIK1 1536/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GSR 2525/4885OTC 3226/4885GRIK1 2016/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GSR 2635/4885OTC 3134/4885GRIK1 2104/4885

“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.

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