SCHEMBL2237261

SCHEMBL2237261

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
EPHX2 P34913 3/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
GRM4 Q14833 2/20 0.42
GRM8 O00222 1/20 0.42
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.39
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1768819 1.00 P2RX7 (0.56) P2RX7EPHX2LMNAHPGDGRM4
SCHEMBL2235810 0.92 P2RX7 (0.54) P2RX7EPHX2LMNAHPGDGRM4
SCHEMBL2235803 0.92 P2RX7 (0.54) P2RX7EPHX2LMNAHPGDGRM4
SCHEMBL2238845 0.86 P2RX7 (0.59) P2RX7GRM4
SCHEMBL13585060 0.86 P2RX7 (0.59) P2RX7GRM4
SCHEMBL1769623 0.82 EPHX2 (0.70) EPHX2LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL1769619 0.82 EPHX2 (0.70) EPHX2LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL1769566 0.80 EPHX2 (0.64) EPHX2GRM4GRM8KMT2ASMN1; SMN2
SCHEMBL1769567 0.80 EPHX2 (0.64) EPHX2GRM4GRM8KMT2ASMN1; SMN2
SCHEMBL2236090 0.79 HPGD (0.65) LMNAHPGDKMT2ASMN1; SMN2CYP2C9

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 9 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-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 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
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US 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 (3 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 P2RX7 1576/4885EPHX2 1468/4885LMNA 2407/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 P2RX7 143/4885EPHX2 2685/4885LMNA 4153/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 P2RX7 162/4885EPHX2 2738/4885LMNA 4127/4885

“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.