SCHEMBL1769900

SCHEMBL1769900

N[C@@H](CCNC(=O)CCC(=O)N1CCNCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
OTC P00480 1/20 0.37
ITGAV P06756 1/20 0.36
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NOD1 Q9Y239 1/20 0.35
EPHX2 P34913 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GSR P00390 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 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
SCHEMBL13585807 1.00 ITGB3 (0.37) ITGB3ITGA2BSIGMAR1OTCITGAV
SCHEMBL13585786 0.86 TPSAB1 (0.37) ITGB3ITGA2BITGAVTPSAB1TPSD1
SCHEMBL13585788 0.86 TPSAB1 (0.37) ITGB3ITGA2BITGAVTPSAB1TPSD1
SCHEMBL1769660 0.85 NOD1 (0.38) OTCTAAR1NOD1TDP1
SCHEMBL13584756 0.85 NOD1 (0.38) OTCTAAR1NOD1TDP1
SCHEMBL13585349 0.84 TAAR1 (0.51) TAAR1
SCHEMBL13585347 0.84 TAAR1 (0.51) TAAR1
SCHEMBL1768823 0.83 HSD17B10 (0.42) ITGB3ITGA2BSIGMAR1OTCNOD1
SCHEMBL13584988 0.83 HSD17B10 (0.42) ITGB3ITGA2BSIGMAR1OTCNOD1
SCHEMBL1768786 0.82 GRM8 (0.47) ITGB3ITGA2BITGAVGRM8GRM6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY 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 (1 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 ITGB3 3255/4885ITGA2B 2174/4885SIGMAR1 910/4885

“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.