SCHEMBL2307299

SCHEMBL2307299

NC(CCNc1nccnn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ARG1 P05089 1/20 0.40
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRM8 O00222 2/20 0.34
GRM4 Q14833 2/20 0.34
GSR P00390 2/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIA4 P48058 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
SCHEMBL2307292 1.00 CYP1A2 (0.41) CYP1A2ARG1EPHX2HSD17B10ALDH1A1
SCHEMBL2302315 0.91 ARG1 (0.45) CYP1A2ARG1GSRKMT2A
SCHEMBL2302327 0.91 ARG1 (0.45) CYP1A2ARG1GSRKMT2A
SCHEMBL2302316 0.90 ARG1 (0.44) CYP1A2ARG1GSRBLM
SCHEMBL2302308 0.90 ARG1 (0.44) CYP1A2ARG1GSRBLM
SCHEMBL15208890 0.88 CYP1A2 (0.43) CYP1A2ARG1EPHX2HSD17B10GRIN2D
SCHEMBL15208887 0.88 CYP1A2 (0.43) CYP1A2ARG1EPHX2HSD17B10GRIN2D
SCHEMBL2239768 0.84 ALDH1A1 (0.50) CYP1A2ARG1ALDH1A1GRM8GRM4
SCHEMBL2235938 0.84 ALDH1A1 (0.50) CYP1A2ARG1ALDH1A1GRM8GRM4
SCHEMBL2235643 0.75 ALDH1A1 (0.47) ARG1ALDH1A1GSRKMT2A

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 CYP1A2 4787/4885ARG1 889/4885EPHX2 2685/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP1A2 4746/4885ARG1 971/4885EPHX2 2738/4885

“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.