SCHEMBL31754287

SCHEMBL31754287

CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)ON(C)[C@@H](CCCCN)C(=O)N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 4/20 0.45
▸ ERAP2 Q6P179 3/20 0.45
▸ ERAP1 Q9NZ08 2/20 0.45
▸ NPY4R P50391 3/20 0.41
▸ NPY1R P25929 2/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ CHRND Q07001 5/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ GRIA1 P42261 1/20 0.38

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
SCHEMBL30759435 0.83 ERAP2 (0.53) LNPEPERAP2ERAP1NPY4RNPY1R
SCHEMBL30759452 0.81 ERAP2 (0.49) LNPEPERAP2ERAP1NPY4RNPY1R
SCHEMBL20489336 0.75 NPY4R (0.52) LNPEPERAP2ERAP1NPY4RNPY1R
SCHEMBL30759487 0.75 ERAP2 (0.67) LNPEPERAP2ERAP1NPY4RNPY1R
SCHEMBL1373292 0.71 NPY4R (0.59) LNPEPERAP2NPY4RNPY1RCHRND
SCHEMBL1373290 0.71 NPY4R (0.59) LNPEPERAP2NPY4RNPY1RCHRND
SCHEMBL15011504 0.71 NPY4R (0.59) LNPEPERAP2NPY4RNPY1RCHRND
SCHEMBL29468059 0.71 MME (0.60) LNPEPERAP2ERAP1NPY4RNPY1R
SCHEMBL2064607 0.71 NPY4R (0.58) NPY4RNPY1ROPRM1OPRD1NPY2R
SCHEMBL2064604 0.71 NPY4R (0.58) NPY4RNPY1ROPRM1OPRD1NPY2R

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 — — 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS LNPEP 967/4885ERAP2 3495/4885ERAP1 2333/4885

“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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