SCHEMBL1768403

SCHEMBL1768403

N[C@@H](CNC(=O)CCN1CCNCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
PCNA P12004 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GFPT1 Q06210 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
SCHEMBL13583281 1.00 ANPEP (0.43) ANPEPERAP2CHRM5CHRM3MAPT
SCHEMBL1768823 0.87 HSD17B10 (0.42) ANPEPERAP2CHRM5CHRM3MAPT
SCHEMBL13584988 0.87 HSD17B10 (0.42) ANPEPERAP2CHRM5CHRM3MAPT
SCHEMBL1768725 0.85 MAPT (0.56) MAPTMEN1KMT2APOLBLMNA
SCHEMBL13585489 0.85 MAPT (0.56) MAPTMEN1KMT2APOLBLMNA
SCHEMBL15208767 0.85 OTC (0.49) ANPEPERAP2CHRM5CHRM3MAPT
SCHEMBL2235636 0.85 OTC (0.49) ANPEPERAP2CHRM5CHRM3MAPT
SCHEMBL1768692 0.84 TP53 (0.43) MAPTHTR1AHTR7POLBHTT
SCHEMBL1768716 0.84 HSD17B10 (0.54) MAPTHSD17B10MEN1KMT2ALMNA
SCHEMBL1768712 0.84 HSD17B10 (0.54) MAPTHSD17B10MEN1KMT2ALMNA

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 12 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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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 ANPEP 297/4885ERAP2 811/4885CHRM5 3329/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ANPEP 226/4885ERAP2 1254/4885CHRM5 4018/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 ANPEP 196/4885ERAP2 1262/4885CHRM5 4138/4885

“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.