SCHEMBL1768540

SCHEMBL1768540

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.52
SLC1A1 P43005 2/20 0.52
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
CYP1A2 P05177 1/20 0.52
GRIK1 P39086 1/20 0.52
GRM5 P41594 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
GRIN2B Q13224 1/20 0.52

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
SCHEMBL1768542 1.00 GSR (0.52) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL29590846 0.90 SLC1A1 (0.58) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL1769507 0.89 GSR (0.55) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL31369833 0.89 GSR (0.55) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL1769511 0.89 GSR (0.55) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL1116103 0.87 GSR (0.58) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL27776403 0.87 GSR (0.58) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL20192639 0.86 GSR (0.56) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL30612288 0.86 GSR (0.56) GSRSLC1A1GRM8GRM6GRIN2D
SCHEMBL1374853 0.85 SLC1A1 (0.52) GSRSLC1A1GRM8GRM6GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838298-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-23 EP disclosed
EP-3831380-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING Purdue Research Foundation (US) 2021-06-09 EP disclosed
EP-3388086-B1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2020-10-07 EP disclosed
EP-3055298-B1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2020-04-29 EP disclosed
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
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 GSR 4018/4885SLC1A1 3055/4885GRM8 1650/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GSR 2525/4885SLC1A1 832/4885GRM8 1081/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GSR 2635/4885SLC1A1 736/4885GRM8 1276/4885

“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.