SCHEMBL30799784

SCHEMBL30799784

NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.57
ANPEP P15144 1/20 0.53
IL1RN P18510 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53

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
SCHEMBL30506402 0.94 LTA4H (0.58) GHSRANPEPERAP2ERAP1LNPEP
SCHEMBL30958546 0.94 LTA4H (0.58) GHSRANPEPERAP2ERAP1LNPEP
SCHEMBL31171028 0.93 GHSR (0.58) GHSRANPEPIL1RNERAP2ERAP1
SCHEMBL29577979 0.91 LTA4H (0.57) GHSRANPEPERAP2ERAP1
SCHEMBL29577130 0.91 LTA4H (0.57) GHSRANPEPERAP2ERAP1
SCHEMBL31171024 0.91 OPRM1 (0.54) GHSR
SCHEMBL30671563 0.90 LTA4H (0.58) GHSRANPEPERAP2ERAP1
SCHEMBL30799643 0.90 GHSR (0.48) GHSR
SCHEMBL30490004 0.90 OPRM1 (0.54) GHSR
SCHEMBL31259936 0.89 ACE (0.57)

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 GHSR 1194/4885ANPEP 100/4885IL1RN 1381/4885

“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.