SCHEMBL1149706

SCHEMBL1149706

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GGT1 P19440 2/20 0.39
ALOX15 P16050 1/20 0.39
C3AR1 Q16581 1/20 0.39
FOLH1 Q04609 2/20 0.37
TLR2 O60603 1/20 0.35
GAA P10253 1/20 0.35
ALB P02768 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
OTC P00480 1/20 0.33

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
SCHEMBL144726 0.95 GGT1 (0.40) NOD1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL7028708 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL19506115 0.93 PRMT1 (0.45) NOD1MEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL7029218 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL8664762 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL25334014 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL7029222 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL8664765 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL7028702 0.93 NOD1 (0.53) NOD1FOLH1TLR2
SCHEMBL31078268 0.93 NOD1 (0.53) NOD1FOLH1TLR2

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
EP-2259768-B1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE MERCK PATENT GMBH (DE) 2019-05-22 EP disclosed
US-10278911-B2 Compositions containing cyclic peptides and methods of use MERCK PATENT GMBH (DE) 2019-05-07 US disclosed
US-20150265516-A1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20110027209-A1 Compositions Containing Cyclic Peptides And Methods Of Use MERCK PATENT GESELLSCHAFT (DE) 2011-02-03 US disclosed
EP-2259768-A1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124754-A1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE MERCK PATENT GMBH (DE) 2009-10-15 WO disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 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-20150265516-A1 COMPOSITIONS CONTAINING CYCLIC PEPTIDES AND METHODS OF USE CUTA, NGLY1, CALCA NOD1 3795/4885MEN1 1564/4885KMT2A 4725/4885
US-10278911-B2 Compositions containing cyclic peptides and methods of use CUTA, NGLY1, CALCA NOD1 3795/4885MEN1 1564/4885KMT2A 4725/4885
US-20110027209-A1 Compositions Containing Cyclic Peptides And Methods Of Use CUTA, NGLY1, CALCA NOD1 3795/4885MEN1 1564/4885KMT2A 4725/4885

“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.