SCHEMBL1768730

SCHEMBL1768730

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.42
▸ GRIK1 P39086 4/20 0.42
▸ GRIK2 Q13002 2/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ GSR P00390 1/20 0.42
▸ SLC1A1 P43005 3/20 0.41
▸ SLC1A3 P43003 2/20 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ SLC7A11 Q9UPY5 1/20 0.38
▸ GGT1 P19440 2/20 0.38
▸ GRIA4 P48058 1/20 0.37
▸ GRIK3 Q13003 1/20 0.37
▸ GRIK5 Q16478 1/20 0.37

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
SCHEMBL1768732 1.00 OTC (0.42) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL30050875 0.89 OTC (0.41) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL1768889 0.88 GSR (0.48) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL1768892 0.88 GSR (0.48) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL17451658 0.86 GSR (0.52) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL1512927 0.83 OTC (0.42) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL7188599 0.83 OTC (0.42) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL31688908 0.82 GRIK1 (0.39) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL9077915 0.82 PTGS1 (0.46) OTCGRIK1GRIK2GRM1GRM2
SCHEMBL9374101 0.82 PTGS1 (0.46) OTCGRIK1GRIK2GRM1GRM2

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 15 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
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 — — CN disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 — — CN 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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 — — CN 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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 — — CN 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 OTC 4591/4885GRIK1 1536/4885GRIK2 2421/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3226/4885GRIK1 2016/4885GRIK2 2480/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885GRIK1 2104/4885GRIK2 2597/4885

“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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