SCHEMBL2236632

SCHEMBL2236632

N[C@@H](CCCCNCc1ccccn1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
TPH1 P17752 1/20 0.46
SLC1A5 Q15758 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPRA P18433 1/20 0.44
LMNA P02545 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
POLB P06746 1/20 0.44
ANPEP P15144 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL2236636 1.00 CHRM2 (0.60) CHRM2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2238312 0.96 CHRM2 (0.57) CHRM2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2238319 0.96 CHRM2 (0.57) CHRM2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2236666 0.91 CHRM2 (0.53) CHRM2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2236660 0.91 CHRM2 (0.53) CHRM2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2236965 0.83 DPP8 (0.44) DPP8DPP9DPP7KMT2APOLB
SCHEMBL2236976 0.83 DPP8 (0.44) DPP8DPP9DPP7KMT2APOLB
SCHEMBL31268353 0.82 POLB (0.48) SMN1; SMN2SLC1A5KMT2APTPRAPOLB
SCHEMBL15208597 0.82 KDM4E (0.60) CHRM2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15208596 0.82 KDM4E (0.60) CHRM2KDM4ENPC1RAB9ASMN1; SMN2

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
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
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN 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 CHRM2 3826/4885KDM4E 4660/4885NPC1 1872/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CHRM2 3972/4885KDM4E 4606/4885NPC1 1687/4885

“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.