SCHEMBL30439540

SCHEMBL30439540

CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.47
▸ NPY4R P50391 5/20 0.46
▸ NPY1R P25929 4/20 0.46
▸ NPY2R P49146 4/20 0.46
▸ NPY5R Q15761 3/20 0.46
▸ OPRD1 P41143 7/20 0.46
▸ OPRM1 P35372 6/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ CHRND Q07001 5/20 0.45
▸ CHRNA1 P02708 1/20 0.45
▸ CHRNG P07510 1/20 0.45
▸ CHRNB1 P11230 1/20 0.45

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
SCHEMBL31211861 0.88 OPRD1 (0.49) OPRD1OPRM1OPRK1
SCHEMBL29527337 0.87 OPRD1 (0.51) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30365301 0.86 NPY4R (0.53) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29352830 0.86 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31211792 0.85 MMP2 (0.48) —
SCHEMBL30609711 0.84 CHRND (0.53) CD40NPY4RNPY1RNPY2RNPY5R
SCHEMBL29365357 0.83 OPRD1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL11512382 0.82 IL23R (0.51) CD40OPRD1OPRM1OPRK1
SCHEMBL31253360 0.82 LNPEP (0.56) OPRD1OPRM1OPRK1CHRNDCHRNA1
SCHEMBL29816050 0.82 OPRD1 (0.49) NPY4RNPY1RNPY2RNPY5ROPRD1

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-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES EAGLE RESOLUTE INVESTMENT LLC 2023-06-08 — — 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-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES VIP, DNPEP, CD74 CD40 76/4885NPY4R 2072/4885NPY1R 1783/4885

“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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