SCHEMBL30799568

SCHEMBL30799568

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.56
▸ ERBB2 P04626 1/20 0.55
▸ GHSR Q92847 2/20 0.55
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ ACE P12821 2/20 0.53
▸ LTA4H P09960 1/20 0.52
▸ BACE1 P56817 1/20 0.52
▸ MAGI3 Q5TCQ9 1/20 0.52

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
SCHEMBL30724706 0.92 ACE (0.62) ACE
SCHEMBL29872185 0.90 KISS1R (0.58) KISS1RERBB2GHSRACELTA4H
SCHEMBL29550892 0.90 GHSR (0.62) KISS1RGHSR
SCHEMBL29425599 0.89 KISS1R (0.57) KISS1RERBB2OPRM1OPRD1
SCHEMBL30495788 0.89 KISS1R (0.60) KISS1R
SCHEMBL30799826 0.89 GHSR (0.57) GHSROPRM1OPRD1ACELTA4H
SCHEMBL29425581 0.89 KISS1R (0.59) KISS1ROPRM1OPRD1
SCHEMBL29851151 0.88 ACE (0.57) ACEMAGI3
SCHEMBL30799534 0.88 BACE1 (0.62) BACE1
SCHEMBL30518959 0.87 MAGI3 (0.59) KISS1RERBB2GHSRMAGI3

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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 KISS1R 2859/4885ERBB2 1101/4885GHSR 1194/4885

“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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