SCHEMBL30918331

SCHEMBL30918331

CC(C)(C)OC(=O)CC[C@H](NC(=O)C(NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C1CCCCO1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.38
▸ GNRHR P30968 7/20 0.37
▸ BACE1 P56817 4/20 0.37
▸ BDKRB2 P30411 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL30918367 0.92 BACE1 (0.41) KISS1RGNRHRBACE1BDKRB2CTNNB1
SCHEMBL30958914 0.92 KISS1R (0.41) KISS1RGNRHRBACE1BDKRB2CTNNB1
SCHEMBL30918341 0.92 CTSB (0.38) KISS1RBACE1CTNNB1CTSBCTSS
SCHEMBL30918311 0.89 PTPN1 (0.42) CTSBCTSSCTSK
SCHEMBL30958909 0.86 BACE1 (0.39) KISS1RBACE1CTSB
SCHEMBL30918343 0.79 BACE1 (0.46) KISS1RBACE1CTSB
SCHEMBL29666838 0.79 TACR1 (0.34) GNRHRBDKRB2CTSBCTSSCTSK
SCHEMBL27428789 0.76 TACR1 (0.36) KISS1R
SCHEMBL27429103 0.76 TACR1 (0.36) KISS1R
SCHEMBL27389137 0.76 TACR1 (0.36) KISS1R

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 KISS1R 1618/4885GNRHR 962/4885BACE1 1969/4885

“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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