SCHEMBL1769367

SCHEMBL1769367

CN(C(=O)CC[C@H](N)C(=O)O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.41
ARG1 P05089 1/20 0.40
GRIK1 P39086 2/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRIK2 Q13002 2/20 0.38
GRIK3 Q13003 2/20 0.38
GRIK5 Q16478 2/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GSR P00390 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM5 P41594 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 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
SCHEMBL27872473 1.00 FFAR2 (0.41) FFAR2ARG1GRIK1GRIA1GRIA2
SCHEMBL27872396 0.86 FFAR2 (0.42) FFAR2ARG1GRIK1GRIA1GRIA2
SCHEMBL13585397 0.86 FFAR2 (0.42) FFAR2ARG1GRIK1GRIA1GRIA2
SCHEMBL9942595 0.78 FFAR2 (0.44) FFAR2NR3C1LMNATRPM8NPC1
SCHEMBL27888861 0.76 ARG1 (0.43) FFAR2ARG1GRIK1GRIA1GRIA2
SCHEMBL27888865 0.76 ARG1 (0.43) FFAR2ARG1GRIK1GRIA1GRIA2
SCHEMBL2936251 0.76 FFAR2 (0.49) FFAR2NR3C1LMNATRPM8NPC1
SCHEMBL13545685 0.75 FFAR2 (0.46) FFAR2KMT2ANR3C1LMNATRPM8
SCHEMBL22481561 0.73 FFAR2 (0.48) FFAR2ALOX15KMT2ANR3C1LMNA
SCHEMBL27872471 0.73 GRIK1 (0.40) FFAR2ARG1GRIK1GRIA1GRIA2

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 14 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-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN 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
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
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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 FFAR2 427/4885ARG1 594/4885GRIK1 1536/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 FFAR2 317/4885ARG1 889/4885GRIK1 2016/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 FFAR2 409/4885ARG1 971/4885GRIK1 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.