SCHEMBL2237345

SCHEMBL2237345

NCCCCC(=O)NCCCC(N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.61
OTC P00480 1/20 0.58
NOD1 Q9Y239 4/20 0.56
SLC6A5 Q9Y345 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
DDAH1 O94760 1/20 0.43
MMP2 P08253 1/20 0.43
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41

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
SCHEMBL2237341 1.00 GSR (0.61) GSROTCNOD1SLC6A5TDP1
SCHEMBL19245892 0.95 GSR (0.65) GSROTCNOD1SLC6A5TDP1
SCHEMBL2236773 0.95 OTC (0.59) GSROTCNOD1SLC6A5TDP1
SCHEMBL2236779 0.95 OTC (0.59) GSROTCNOD1SLC6A5TDP1
SCHEMBL7700448 0.94 GSR (0.62) GSROTCNOD1SLC6A5TDP1
SCHEMBL14701736 0.94 GSR (0.62) GSROTCNOD1SLC6A5TDP1
SCHEMBL2237777 0.92 GSR (0.58) GSROTCNOD1SLC6A5TDP1
SCHEMBL2237780 0.92 GSR (0.58) GSROTCNOD1SLC6A5TDP1
SCHEMBL25406169 0.90 GSR (0.56) GSROTCNOD1SLC6A5TDP1
SCHEMBL25406164 0.90 GSR (0.56) GSROTCNOD1SLC6A5TDP1

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 GSR 2525/4885OTC 3226/4885NOD1 1005/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 GSR 2635/4885OTC 3134/4885NOD1 944/4885

“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.