SCHEMBL30759435

SCHEMBL30759435

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 6/20 0.53
▸ LNPEP Q9UIQ6 5/20 0.53
▸ ERAP1 Q9NZ08 4/20 0.53
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ NPY4R P50391 6/20 0.45
▸ NPY1R P25929 4/20 0.45
▸ NPY2R P49146 3/20 0.45
▸ ACE P12821 3/20 0.43
▸ MME P08473 2/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ IL1RN P18510 1/20 0.43
▸ ENPEP Q07075 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ NPY5R Q15761 2/20 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
SCHEMBL30759452 0.90 ERAP2 (0.49) ERAP2LNPEPERAP1OPRM1OPRD1
SCHEMBL31754252 0.85 KISS1R (0.45) ERAP2LNPEPERAP1OPRM1OPRD1
SCHEMBL30759487 0.83 ERAP2 (0.67) ERAP2LNPEPERAP1OPRM1OPRD1
SCHEMBL29468059 0.83 MME (0.60) ERAP2LNPEPERAP1OPRM1OPRD1
SCHEMBL31754287 0.83 LNPEP (0.45) ERAP2LNPEPERAP1OPRM1OPRD1
SCHEMBL32661261 0.78 OPRD1 (0.55) OPRM1OPRD1ACEMMECPA1
SCHEMBL31754347 0.77 SLC7A5 (0.49) ERAP2LNPEPERAP1
SCHEMBL30728566 0.76 OPRD1 (0.56) ERAP2LNPEPERAP1OPRM1OPRD1
SCHEMBL31113285 0.76 MME (0.60) NPY4RNPY1RNPY2RACEMME
SCHEMBL31113109 0.76 MME (0.60) NPY4RNPY1RNPY2RACEMME

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 3 patents. 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
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 — — EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS ERAP2 3495/4885LNPEP 967/4885ERAP1 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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