SCHEMBL2363515

SCHEMBL2363515

Cn1ccnc1C(=O)NCCCC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.50
OTC P00480 1/20 0.44
SMYD3 Q9H7B4 1/20 0.41
NAMPT P43490 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK4 Q16099 1/20 0.39
GRIK5 Q16478 1/20 0.39
TGM2 P21980 1/20 0.36
DDAH1 O94760 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35

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
SCHEMBL2363512 1.00 ARG1 (0.50) ARG1OTCSMYD3NAMPTGRIK1
SCHEMBL2363931 0.92 ARG1 (0.46) ARG1OTCSMYD3NAMPTGRIK1
SCHEMBL2363934 0.92 ARG1 (0.46) ARG1OTCSMYD3NAMPTGRIK1
SCHEMBL13585082 0.84 GRIN3B (0.45) ARG1SMYD3NAMPTGRIK1GRIK2
SCHEMBL2363842 0.84 GRIN3B (0.45) ARG1SMYD3NAMPTGRIK1GRIK2
SCHEMBL15208292 0.77 ARG1 (0.50) ARG1OTCGRIK1GRIK2GRIK3
SCHEMBL15208293 0.77 ARG1 (0.50) ARG1OTCGRIK1GRIK2GRIK3
SCHEMBL15208859 0.75 NPC1 (0.58) OTC
SCHEMBL15208864 0.75 NPC1 (0.58) OTC
SCHEMBL15208779 0.74 OTC (0.44) ARG1OTCTGM2DDAH1EGLN2

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 7 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-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
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 (2 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ARG1 889/4885OTC 3226/4885SMYD3 3216/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ARG1 971/4885OTC 3134/4885SMYD3 3243/4885

“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.