SCHEMBL27428842

SCHEMBL27428842

CNCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2c(C)cccc12)NC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(OCCNC)cc1)C(=O)OC)C(C)(C)SC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 3/20 0.37
▸ ERAP2 Q6P179 3/20 0.37
▸ ERAP1 Q9NZ08 2/20 0.37
▸ CCKBR P32239 7/20 0.36
▸ AMY2A P04746 4/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ CCKAR P32238 2/20 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
SCHEMBL27428845 0.85 IL1RN (0.42) IL1RNERAP2ERAP1
SCHEMBL27428906 0.83 KISS1R (0.41) —
SCHEMBL27429057 0.83 KISS1R (0.38) IL1RNERAP2ERAP1CCKBRAMY2A
SCHEMBL27428869 0.78 NPY4R (0.36) IL1RNERAP2ERAP1CCKBRAMY2A
SCHEMBL27428810 0.78 NPY4R (0.36) IL1RNERAP2ERAP1CCKBRAMY2A
SCHEMBL27429128 0.78 CCKBR (0.34) CCKBRAMY2ACCKAR
SCHEMBL27428984 0.77 CCKBR (0.40) CCKBRCCKAR
SCHEMBL27434126 0.77 CCKBR (0.40) CCKBRCCKAR
SCHEMBL27429224 0.76 PAX8 (0.41) CCKBRAMY2A
SCHEMBL27428836 0.76 ALDH1A1 (0.43) IL1RNERAP2ERAP1

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 IL1RN 4116/4885ERAP2 412/4885ERAP1 116/4885

“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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