SCHEMBL2235636

SCHEMBL2235636

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.49
NOD1 Q9Y239 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DDAH1 O94760 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 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
SCHEMBL15208767 1.00 OTC (0.49) OTCNOD1TDP1HSD17B10ANPEP
SCHEMBL1768823 0.92 HSD17B10 (0.42) OTCNOD1TDP1HSD17B10ANPEP
SCHEMBL13584988 0.92 HSD17B10 (0.42) OTCNOD1TDP1HSD17B10ANPEP
SCHEMBL19382756 0.87 TDP1 (0.47) OTCNOD1TDP1ANPEPERAP2
SCHEMBL2235897 0.86 MAPT (0.54) OTCNOD1HSD17B10MEN1KMT2A
SCHEMBL15208442 0.86 MAPT (0.54) OTCNOD1HSD17B10MEN1KMT2A
SCHEMBL15207830 0.85 OTC (0.50) OTCNOD1TDP1HSD17B10SIGMAR1
SCHEMBL15207826 0.85 OTC (0.50) OTCNOD1TDP1HSD17B10SIGMAR1
SCHEMBL15208858 0.85 HSD17B10 (0.57) OTCHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL15208863 0.85 HSD17B10 (0.57) OTCHSD17B10MEN1KMT2ASMN1; 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 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
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 OTC 3226/4885NOD1 1005/4885TDP1 4654/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885NOD1 944/4885TDP1 4682/4885

“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.