SCHEMBL1768808

SCHEMBL1768808

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
OTC P00480 1/20 0.40
DNM1 Q05193 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 2/20 0.36
BHMT Q93088 1/20 0.36
GSR P00390 1/20 0.36
DDAH1 O94760 1/20 0.35

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
SCHEMBL1768812 1.00 NOS2 (0.45) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768376 0.91 NOS2 (0.44) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768371 0.91 NOS2 (0.44) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768810 0.88 NOS2 (0.49) NOS2NOS3NOS1OTCEPHX2
SCHEMBL1768373 0.84 NOS2 (0.44) NOS2NOS3NOS1OTCBHMT
SCHEMBL1768365 0.81 NOS2 (0.44) NOS2NOS3NOS1OTCDNM1
SCHEMBL1768362 0.81 NOS2 (0.44) NOS2NOS3NOS1OTCDNM1
SCHEMBL13584952 0.81 NOS2 (0.41) NOS2NOS3NOS1OTCHPGD
SCHEMBL13584953 0.81 NOS2 (0.41) NOS2NOS3NOS1OTCHPGD
SCHEMBL1769569 0.80 DNM1 (0.54) 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.