SCHEMBL2301092

SCHEMBL2301092

Cn1ccnc1CN(CCC(N)C(=O)O)Cc1nccn1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.46
SLC1A5 Q15758 16/20 0.45
CXCR4 P61073 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK4 Q16099 1/20 0.40
GRIK5 Q16478 1/20 0.40
TSHR P16473 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
SCHEMBL15208872 1.00 ARG1 (0.46) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL2302661 0.92 ARG1 (0.50) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL2302667 0.92 ARG1 (0.50) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL2303123 0.91 ARG1 (0.49) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL2303111 0.91 ARG1 (0.49) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL15208096 0.86 GRIK1 (0.42) ARG1CXCR4GRIK1GRIK2GRIK3
SCHEMBL15208101 0.86 GRIK1 (0.42) ARG1CXCR4GRIK1GRIK2GRIK3
SCHEMBL2834361 0.84 CXCR4 (0.47) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL2834362 0.84 CXCR4 (0.47) ARG1SLC1A5CXCR4GRIK1GRIK2
SCHEMBL15834895 0.79 CXCR4 (0.46) ARG1CXCR4TSHR

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 889/4885SLC1A5 437/4885CXCR4 6/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ARG1 971/4885SLC1A5 391/4885CXCR4 6/4885

“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.