SCHEMBL2235803

SCHEMBL2235803

N[C@@H](CCCNC(=O)c1ccncn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
OTC P00480 1/20 0.45
EPHX2 P34913 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM4 Q14833 2/20 0.40
GRM8 O00222 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ARG1 P05089 1/20 0.39

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
SCHEMBL2235810 1.00 P2RX7 (0.54) P2RX7OTCEPHX2SMN1; SMN2GRM4
SCHEMBL2237261 0.92 P2RX7 (0.56) P2RX7EPHX2SMN1; SMN2GRM4GRM8
SCHEMBL1768819 0.92 P2RX7 (0.56) P2RX7EPHX2SMN1; SMN2GRM4GRM8
SCHEMBL13585060 0.83 P2RX7 (0.59) P2RX7GRM4
SCHEMBL2238845 0.83 P2RX7 (0.59) P2RX7GRM4
SCHEMBL2240242 0.83 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2
SCHEMBL2240238 0.83 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2
SCHEMBL20220998 0.82 P2RX7 (0.54) P2RX7EPHX2SMN1; SMN2GRM4
SCHEMBL2239985 0.81 CYP1A2 (0.58) OTCEPHX2SMN1; SMN2GRM4GRM8
SCHEMBL2239991 0.81 CYP1A2 (0.58) OTCEPHX2SMN1; SMN2GRM4GRM8

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 P2RX7 143/4885OTC 3226/4885EPHX2 2685/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 P2RX7 162/4885OTC 3134/4885EPHX2 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.