SCHEMBL1768362

SCHEMBL1768362

CN(C)CCCNC(=O)NCC[C@H](N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
OTC P00480 1/20 0.42
DNM1 Q05193 1/20 0.41
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GSR P00390 1/20 0.38
BHMT Q93088 1/20 0.38
DDAH1 O94760 1/20 0.37
NOD1 Q9Y239 1/20 0.36
ALOX15 P16050 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
SCHEMBL1768365 1.00 NOS2 (0.44) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768709 0.90 NOS2 (0.42) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768704 0.90 NOS2 (0.42) NOS2NOS3NOS1OTCDNM1
SCHEMBL13584744 0.87 DNM1 (0.41) NOS2NOS3NOS1DNM1HPGD
SCHEMBL13584740 0.87 DNM1 (0.41) NOS2NOS3NOS1DNM1HPGD
SCHEMBL1769569 0.83 DNM1 (0.54) NOS2NOS3NOS1OTCDNM1
SCHEMBL1769572 0.83 DNM1 (0.54) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768810 0.81 NOS2 (0.49) NOS2NOS3NOS1OTCGSR
SCHEMBL1768808 0.81 NOS2 (0.45) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768812 0.81 NOS2 (0.45) NOS2NOS3NOS1OTCDNM1

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-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY 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.