SCHEMBL30180812

SCHEMBL30180812

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 2/20 0.58
▸ ERAP2 Q6P179 2/20 0.58
▸ OPRD1 P41143 3/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ CCKBR P32239 6/20 0.55
▸ GHSR Q92847 2/20 0.54
▸ KISS1R Q969F8 2/20 0.54
▸ CCKAR P32238 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
SCHEMBL30180741 0.93 GHSR (0.61) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL30518959 0.92 MAGI3 (0.59) IL1RNERAP2GHSRKISS1R
SCHEMBL29769338 0.91 IL23R (0.58) KISS1R
SCHEMBL30958912 0.91 ERAP2 (0.59) IL1RNERAP2
SCHEMBL30180772 0.90 OPRD1 (0.59) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL31609332 0.88 ERAP2 (0.63) IL1RNERAP2CCKBRGHSRKISS1R
SCHEMBL30772214 0.87 ERAP2 (0.64) IL1RNERAP2
SCHEMBL30123487 0.87 OPRM1 (0.59) IL1RNERAP2OPRD1OPRM1
SCHEMBL29555589 0.87 CCKBR (0.58) IL1RNERAP2OPRD1OPRM1CCKBR
SCHEMBL29362220 0.86 OPRM1 (0.59) IL1RNERAP2OPRD1OPRM1

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-20230046728-A1 TECHNOLOGIES USEFUL FOR ASSESSING PERMEABILITY PARABILIS MEDICINES, INC. 2023-02-16 — — 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-20230046728-A1 TECHNOLOGIES USEFUL FOR ASSESSING PERMEABILITY SLC47A2, EPCAM, SLC47A1 IL1RN 4622/4885ERAP2 50/4885OPRD1 2406/4885

“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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