SCHEMBL30918343

SCHEMBL30918343

CC(C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.46
▸ CTSD P07339 1/20 0.43
▸ KISS1R Q969F8 2/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ REN P00797 2/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL27389168 0.88 KISS1R (0.39) BACE1CTSDKISS1RCYP3A4REN
SCHEMBL30918360 0.88 KISS1R (0.39) BACE1CTSDKISS1RCYP3A4REN
SCHEMBL27428793 0.88 KISS1R (0.39) BACE1CTSDKISS1RCYP3A4REN
SCHEMBL30958913 0.88 BACE1 (0.54) BACE1CTSDKISS1R
SCHEMBL27428888 0.88 KISS1R (0.40) BACE1CTSDKISS1RCYP3A4REN
SCHEMBL29666893 0.88 CYP3A4 (0.40) BACE1KISS1RCYP3A4RENCTSL
SCHEMBL30918318 0.87 CTSL (0.53) RENCTSLCTSB
SCHEMBL29401136 0.86 CYP3A4 (0.44) CYP3A4CTSLCTSBGPR132
SCHEMBL30958909 0.84 BACE1 (0.39) BACE1CTSDKISS1RCYP3A4REN
SCHEMBL29755521 0.83 ACE (0.55) CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 — — EP disclosed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS BACE1 1969/4885CTSD 1327/4885KISS1R 1618/4885

“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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