SCHEMBL1768541

SCHEMBL1768541

NCCCNC(=O)NCCC(N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.57
▸ OTC P00480 1/20 0.46
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ GRM8 O00222 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ GRIA4 P48058 1/20 0.41

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
SCHEMBL1768537 1.00 GSR (0.57) GSROTCGNAI3GNAO1GNAI1
SCHEMBL13584650 0.89 GSR (0.50) GSROTCGRM8GRM6GRIN2D
SCHEMBL13584646 0.89 GSR (0.50) GSROTCGRM8GRM6GRIN2D
SCHEMBL13584910 0.85 GSR (0.47) GSROTCGNAI3GNAO1GNAI1
SCHEMBL13584906 0.85 GSR (0.47) GSROTCGNAI3GNAO1GNAI1
SCHEMBL20192642 0.84 GSR (0.60) GSROTCGNAI3GNAO1GNAI1
SCHEMBL13585468 0.81 GSR (0.43) GSROTCGRM8GRM6GRIN2D
SCHEMBL13585473 0.81 GSR (0.43) GSROTCGRM8GRM6GRIN2D
SCHEMBL21987016 0.81 GSR (0.61) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL26309126 0.81 GSR (0.61) GSRGRM8GRM6GRIN2DGRIN3B

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 GSR 4018/4885OTC 4591/4885GNAI3 1379/4885

“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.

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