SCHEMBL1768679

SCHEMBL1768679

NC(CNS(=O)(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.40
GRIK2 Q13002 2/20 0.37
GRM2 Q14416 2/20 0.35
GRIN2D O15399 6/20 0.35
GRIN3B O60391 6/20 0.35
GRIN1 Q05586 6/20 0.35
GRIN2A Q12879 6/20 0.35
GRIN2B Q13224 6/20 0.35
GRIN2C Q14957 6/20 0.35
GRIN3A Q8TCU5 6/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP12 P39900 1/20 0.35
ECE1 P42892 1/20 0.35
MMP13 P45452 1/20 0.35
TBXA2R P21731 1/20 0.34
SLC1A3 P43003 3/20 0.34
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1768677 1.00 GRIK1 (0.40) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL1768620 0.98 GRIK1 (0.38) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL1768617 0.98 GRIK1 (0.38) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL1768398 0.91 GRM5 (0.36) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL1768396 0.91 GRM5 (0.36) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL1768847 0.84 GRM5 (0.32) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL13584512 0.84 GRIN2D (0.39) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL1768850 0.84 GRM5 (0.32) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL2235838 0.84 GRIN2D (0.39) GRIK1GRIK2GRM2GRIN2DGRIN3B
SCHEMBL13585491 0.82 GRIN2D (0.40) GRIK1GRIK2GRM2GRIN2DGRIN3B

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 9 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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP 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 GRIK1 1536/4885GRIK2 2421/4885GRM2 1222/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GRIK1 2016/4885GRIK2 2480/4885GRM2 1297/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GRIK1 2104/4885GRIK2 2597/4885GRM2 1488/4885

“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.