SCHEMBL13584580

SCHEMBL13584580

CN1CCN(CCC(=O)NCCC(N)C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOD1 Q9Y239 1/20 0.40
LMNA P02545 1/20 0.39
OTC P00480 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ACE P12821 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
SCHEMBL2237581 1.00 HSD17B10 (0.43) HSD17B10TP53MAPTCA1CA2
SCHEMBL15207830 0.92 OTC (0.50) HSD17B10TP53MAPTCA1CA2
SCHEMBL15207826 0.92 OTC (0.50) HSD17B10TP53MAPTCA1CA2
SCHEMBL13584907 0.87 MAPT (0.56) HSD17B10MAPTSMN1; SMN2LMNAOTC
SCHEMBL1768692 0.87 TP53 (0.43) TP53MAPTCA1CA2CA9
SCHEMBL1768711 0.87 MAPT (0.56) HSD17B10MAPTSMN1; SMN2LMNAOTC
SCHEMBL13584978 0.87 TP53 (0.43) TP53MAPTCA1CA2CA9
SCHEMBL1769660 0.86 NOD1 (0.38) SMN1; SMN2NOD1OTCL3MBTL1ALDH1A1
SCHEMBL13584756 0.86 NOD1 (0.38) SMN1; SMN2NOD1OTCL3MBTL1ALDH1A1
SCHEMBL1768381 0.85 HSD17B10 (0.59) HSD17B10SMN1; SMN2LMNAALDH1A1

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
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-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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US 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 HSD17B10 2737/4885TP53 1521/4885MAPT 3273/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HSD17B10 3748/4885TP53 3995/4885MAPT 4808/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HSD17B10 3813/4885TP53 4135/4885MAPT 4798/4885

“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.