SCHEMBL30759517

SCHEMBL30759517

CN(F)[C@@H](CCCN)C(=O)N(C)[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ TBXAS1 P24557 3/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ NAPRT Q6XQN6 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ ANPEP P15144 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35

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
SCHEMBL27041653 0.78 LMNA (0.44) LMNATBXAS1KDM4ENAPRTFDPS
SCHEMBL27041657 0.78 LMNA (0.44) LMNATBXAS1KDM4ENAPRTFDPS
SCHEMBL31734463 0.75 KDM4E (0.53) LMNATBXAS1CYP3A4KDM4ENAPRT
SCHEMBL29166084 0.73 LMNA (0.47) LMNATBXAS1CYP3A4KDM4ENAPRT
SCHEMBL30759455 0.72 CTSK (0.42) LMNAMMP9PKMKMT2A
SCHEMBL7850360 0.71 ALPI (0.50) MMP2ANPEPPKM
SCHEMBL4960033 0.71 CYP2A6 (0.57) TBXAS1CYP2A6CYP3A4HRH1FDPS
SCHEMBL23092737 0.71 LMNA (0.44) LMNATBXAS1CYP3A4KDM4ENAPRT
SCHEMBL29715367 0.71 LMNA (0.44) LMNATBXAS1CYP3A4KDM4ENAPRT
SCHEMBL5205285 0.71 LMNA (0.44) LMNATBXAS1CYP3A4KDM4ENAPRT

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 LMNA 1586/4885TBXAS1 4519/4885CYP2A6 3573/4885

“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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