SCHEMBL13585262

SCHEMBL13585262

NC(CCNC(=O)C(N)Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.69
▸ SLC7A5 Q01650 1/20 0.69
▸ NLN Q9BYT8 2/20 0.62

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
SCHEMBL13585259 1.00 CYP3A4 (0.69) CYP3A4SLC7A5NLN
SCHEMBL18222565 0.86 CYP3A4 (0.73) CYP3A4SLC7A5NLN
SCHEMBL18878637 0.85 NLN (0.66) CYP3A4SLC7A5NLN
Histidine SCHEMBL137600 0.83 CYP3A4 (1.00) CYP3A4SLC7A5
Histidine SCHEMBL30852263 0.83 CYP3A4 (1.00) CYP3A4SLC7A5
Histidine SCHEMBL3260 0.83 CYP3A4 (1.00) CYP3A4SLC7A5
Histidine SCHEMBL388560 0.83 CYP3A4 (1.00) CYP3A4SLC7A5
D-Histidine SCHEMBL288043 0.83 CYP3A4 (1.00) CYP3A4SLC7A5
Histidine SCHEMBL19974306 0.83 CYP3A4 (1.00) CYP3A4SLC7A5
Histidine SCHEMBL28071764 0.83 CYP3A4 (1.00) CYP3A4SLC7A5

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 2 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

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 CYP3A4 4212/4885SLC7A5 1767/4885NLN 4510/4885

“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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