SCHEMBL2241045

SCHEMBL2241045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.46
▸ BHMT Q93088 2/20 0.41
▸ GSR P00390 2/20 0.41
▸ SLC7A5 Q01650 1/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ GRIA4 P48058 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41

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
SCHEMBL2237597 0.89 OTC (0.59) OTCGSRCYP1A2NOD1KMT2A
SCHEMBL1768830 0.81 KMT2A (0.50) OTCGSRGRM8GRM6GRIN2D
SCHEMBL1768507 0.81 GFPT1 (0.46) SLC7A5GRIK1GRIA1GRIA2SLC1A3
SCHEMBL28095721 0.81 GFPT1 (0.46) SLC7A5GRIK1GRIA1GRIA2SLC1A3
SCHEMBL1768826 0.81 KMT2A (0.50) OTCGSRGRM8GRM6GRIN2D
SCHEMBL1768369 0.79 OTC (0.50) OTCGSRGRM8GRM6GRIN2D
SCHEMBL20477199 0.79 OTC (0.50) OTCGSRGRM8GRM6GRIN2D
SCHEMBL20477200 0.79 OTC (0.50) OTCGSRGRM8GRM6GRIN2D
SCHEMBL1768374 0.79 OTC (0.50) OTCGSRGRM8GRM6GRIN2D
SCHEMBL20477197 0.79 OTC (0.50) OTCGSRGRM8GRM6GRIN2D

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
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
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 — — 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 4591/4885BHMT 2295/4885GSR 4018/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3226/4885BHMT 2034/4885GSR 2525/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885BHMT 1868/4885GSR 2635/4885

“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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