SCHEMBL2240203

SCHEMBL2240203

N[C@@H](CCCNC(=O)CC1CCCCN1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.47
TDP1 Q9NUW8 1/20 0.38
FDPS P14324 1/20 0.38
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NLRP1 Q9C000 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
DDAH1 O94760 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ARG1 P05089 3/20 0.34
ARG2 P78540 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
SCHEMBL28102652 1.00 OTC (0.47) OTCTDP1FDPSMEN1LMNA
SCHEMBL28102738 0.96 OTC (0.48) OTCTDP1FDPSDDAH1NOD1
SCHEMBL2235726 0.96 OTC (0.48) OTCTDP1FDPSDDAH1NOD1
SCHEMBL28095715 0.92 FDPS (0.39) OTCTDP1FDPSMEN1LMNA
SCHEMBL2236439 0.92 FDPS (0.39) OTCTDP1FDPSMEN1LMNA
SCHEMBL28833501 0.88 OTC (0.38) OTCTDP1FDPSMEN1LMNA
SCHEMBL1768358 0.88 OTC (0.38) OTCTDP1FDPSMEN1LMNA
SCHEMBL1768781 0.84 FDPS (0.41) FDPSMEN1LMNATP53KMT2A
SCHEMBL28095349 0.84 FDPS (0.41) FDPSMEN1LMNATP53KMT2A
SCHEMBL1768816 0.80 GFPT1 (0.37) FDPSMEN1LMNATP53KMT2A

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
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN 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 OTC 3226/4885TDP1 4654/4885FDPS 2641/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885TDP1 4682/4885FDPS 2592/4885

“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.