SCHEMBL1769666

SCHEMBL1769666

COCCN(C)C(=O)NCCC(N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
DDAH1 O94760 2/20 0.40
OTC P00480 1/20 0.36
BHMT Q93088 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC1A1 P43005 2/20 0.35
GLUL P15104 1/20 0.34
GFPT1 Q06210 1/20 0.34
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 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
SCHEMBL1769663 1.00 NOS2 (0.41) NOS2NOS3NOS1DDAH1OTC
SCHEMBL13584952 0.88 NOS2 (0.41) NOS2NOS3NOS1DDAH1OTC
SCHEMBL13584953 0.88 NOS2 (0.41) NOS2NOS3NOS1DDAH1OTC
SCHEMBL13585509 0.85 GFPT1 (0.45) NOS2NOS3NOS1DDAH1GFPT1
SCHEMBL13585513 0.85 GFPT1 (0.45) NOS2NOS3NOS1DDAH1GFPT1
SCHEMBL1768373 0.83 NOS2 (0.44) NOS2NOS3NOS1OTCBHMT
SCHEMBL1768810 0.81 NOS2 (0.49) NOS2NOS3NOS1OTCBHMT
SCHEMBL13585617 0.77 CHRNB2 (0.56) NOS2NOS3NOS1OTCBHMT
SCHEMBL13585616 0.77 CHRNB2 (0.56) NOS2NOS3NOS1OTCBHMT
SCHEMBL1768958 0.77 DDAH1 (0.46) NOS2NOS3NOS1DDAH1BHMT

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 4 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
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP 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 NOS2 4664/4885NOS3 4757/4885NOS1 4500/4885

“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.