SCHEMBL2236602

SCHEMBL2236602

NC(CCNCc1ncccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2C Q14957 2/20 0.39
KIF11 P52732 3/20 0.38
GRM8 O00222 2/20 0.38
GRM4 Q14833 2/20 0.38
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 0.36
SLC1A5 Q15758 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP4 P27487 1/20 0.36
GRM6 O15303 1/20 0.36
GRIN2D O15399 1/20 0.36
GSR P00390 1/20 0.36
GRIK1 P39086 1/20 0.36
GRM5 P41594 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL2329796 1.00 ARG1 (0.39) ARG1GRIN3BGRIN1GRIN2CKIF11
SCHEMBL2238003 0.91 ARG1 (0.43) ARG1GRIN3BGRIN1GRIN2CDPP7
SCHEMBL2238009 0.91 ARG1 (0.43) ARG1GRIN3BGRIN1GRIN2CDPP7
SCHEMBL2236965 0.89 DPP8 (0.44) ARG1DPP7GSRDNMT1
SCHEMBL2236976 0.89 DPP8 (0.44) ARG1DPP7GSRDNMT1
SCHEMBL15208850 0.83 GRIN3B (0.46) GRIN3BGRIN1GRIN2CCYP1A2GRIN2D
SCHEMBL15208845 0.83 GRIN3B (0.46) GRIN3BGRIN1GRIN2CCYP1A2GRIN2D
SCHEMBL2236666 0.82 CHRM2 (0.53) ALDH1A1CYP1A2SLC1A5
SCHEMBL2236660 0.82 CHRM2 (0.53) ALDH1A1CYP1A2SLC1A5
SCHEMBL5285402 0.78 ARG1 (0.44) ARG1GRIN3BGRIN1GRIN2CKIF11

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 8 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
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS 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 889/4885GRIN3B 2098/4885GRIN1 1889/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ARG1 971/4885GRIN3B 2250/4885GRIN1 1994/4885

“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.