SCHEMBL27428871

SCHEMBL27428871

CCCOc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc2c[nH]c3c(C)cccc23)NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)SCNC(C)=O)C(=O)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.37
▸ AMY2A P04746 4/20 0.37
▸ CCKAR P32238 2/20 0.36

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
SCHEMBL27428989 0.94 CCKBR (0.40) CCKBRAMY2ACCKAR
SCHEMBL27434029 0.94 CCKBR (0.40) CCKBRAMY2ACCKAR
SCHEMBL27433979 0.92 CCKBR (0.36) CCKBRAMY2ACCKAR
SCHEMBL27429229 0.88 CCKBR (0.41) CCKBRAMY2A
SCHEMBL27428869 0.87 NPY4R (0.36) CCKBRAMY2ACCKAR
SCHEMBL27428810 0.87 NPY4R (0.36) CCKBRAMY2ACCKAR
SCHEMBL27433953 0.86 CCKBR (0.41) CCKBRAMY2A
SCHEMBL27433906 0.83 PSMB8 (0.40) —
SCHEMBL27428823 0.83 PSMB8 (0.40) —
SCHEMBL27434126 0.82 CCKBR (0.40) CCKBRCCKAR

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 CCKBR 223/4885AMY2A 1885/4885CCKAR 698/4885

“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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