SCHEMBL19345095

SCHEMBL19345095

CN[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 1/20 0.61
▸ REN P00797 11/20 0.56
▸ CTSD P07339 1/20 0.52
▸ LNPEP Q9UIQ6 2/20 0.48

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
SCHEMBL4959538 0.89 TRHR (0.64) TRHRRENCTSDLNPEP
SCHEMBL30294109 0.83 TRHR (0.71) TRHRREN
SCHEMBL4264574 0.82 LNPEP (0.58) TRHRRENCTSDLNPEP
SCHEMBL4957150 0.81 TRHR (0.70) TRHRRENCTSD
SCHEMBL7849192 0.78 REN (0.65) RENCTSD
SCHEMBL7842935 0.78 REN (0.65) RENCTSD
SCHEMBL7852891 0.78 REN (0.65) RENCTSD
Azetirelin SCHEMBL195158 0.78 TRHR (0.85) TRHR
SCHEMBL14028674 0.78 DPP4 (0.51) TRHRRENCTSDLNPEP
SCHEMBL30683534 0.77 TRHR (0.73) TRHRREN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-14 — — 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-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 TRHR 1843/4885REN 4426/4885CTSD 1590/4885

“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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