SCHEMBL27428888

SCHEMBL27428888

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.40
▸ BACE1 P56817 5/20 0.37
▸ REN P00797 3/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ CTSD P07339 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
SCHEMBL27389168 0.96 KISS1R (0.39) KISS1RBACE1RENCTSLCTSB
SCHEMBL27428793 0.96 KISS1R (0.39) KISS1RBACE1RENCTSLCTSB
SCHEMBL30918360 0.96 KISS1R (0.39) KISS1RBACE1RENCTSLCTSB
SCHEMBL27430255 0.90 REN (0.39) KISS1RBACE1RENCTSLCTSB
SCHEMBL27428795 0.88 REN (0.39) KISS1RBACE1RENCTSLCTSB
SCHEMBL30918343 0.88 BACE1 (0.46) KISS1RBACE1RENCTSLCTSB
SCHEMBL27428938 0.88 KISS1R (0.43) KISS1RBACE1CTSD
SCHEMBL27428889 0.88 CTSL (0.48) KISS1RRENCTSLCTSBCYP3A4
SCHEMBL27432638 0.87 MMP12 (0.34) KISS1RRENCTSLCTSBCYP3A4
SCHEMBL27429144 0.86 KISS1R (0.40) KISS1RBACE1CTSLCTSBCTSD

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-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 1618/4885BACE1 1969/4885REN 1533/4885

“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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