SCHEMBL31754252

SCHEMBL31754252

CCCC[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)ON(C)[C@@H](CCCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.45
▸ OPRD1 P41143 10/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ CCKAR P32238 6/20 0.42
▸ CCKBR P32239 6/20 0.42
▸ ERAP2 Q6P179 2/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ REN P00797 1/20 0.40
▸ NPY4R P50391 3/20 0.40
▸ NPY1R P25929 2/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ PLG P00747 1/20 0.39

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
SCHEMBL30759471 0.92 KISS1R (0.42) KISS1ROPRD1OPRM1CCKARCCKBR
SCHEMBL30759431 0.85 KLKB1 (0.36) KISS1ROPRD1CCKARCCKBRERAP2
SCHEMBL30759435 0.85 ERAP2 (0.53) OPRD1OPRM1ERAP2LNPEPERAP1
SCHEMBL30759423 0.82 GRIA1 (0.42) KISS1ROPRM1LNPEP
SCHEMBL30759465 0.82 LMNA (0.37) OPRD1OPRM1ERAP2LNPEPERAP1
SCHEMBL31072486 0.81 KISS1R (0.50) KISS1ROPRD1OPRM1CCKARCCKBR
SCHEMBL27041689 0.79 FOLH1 (0.48) KISS1ROPRD1OPRM1REN
SCHEMBL27041687 0.79 FOLH1 (0.48) KISS1ROPRD1OPRM1REN
SCHEMBL30759455 0.78 CTSK (0.42) KISS1ROPRD1OPRM1REN
SCHEMBL30519203 0.78 MME (0.54) OPRD1OPRM1

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 KISS1R 2731/4885OPRD1 2249/4885OPRM1 2520/4885

“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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