SCHEMBL23977925

SCHEMBL23977925

CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN(C)C)C(=O)NCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ BACE1 P56817 3/20 0.45
▸ OPRD1 P41143 6/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ REN P00797 1/20 0.44
▸ KLKB1 P03952 2/20 0.44
▸ PSMB1 P20618 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ PSMB9 P28065 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ PSMB10 P40306 1/20 0.44
▸ PSMB2 P49721 1/20 0.44
▸ GNPAT O15228 1/20 0.42
▸ CCKAR P32238 3/20 0.42
▸ CCKBR P32239 3/20 0.42
▸ KISS1R Q969F8 1/20 0.42

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
SCHEMBL29301047 0.95 ALDH1A1 (0.45) MMP9MMP8ALDH1A1CYP3A4BACE1
SCHEMBL29372181 0.85 NPY1R (0.54) —
SCHEMBL4451321 0.85 NPY4R (0.50) MMP9MMP8OPRD1KLKB1KISS1R
SCHEMBL18413061 0.85 NPY4R (0.50) MMP9MMP8OPRD1KLKB1KISS1R
SCHEMBL23977724 0.85 NPY4R (0.50) MMP9MMP8OPRD1KLKB1KISS1R
SCHEMBL17132197 0.85 NPY4R (0.50) MMP9MMP8OPRD1KLKB1KISS1R
SCHEMBL19249630 0.85 NPY4R (0.50) MMP9MMP8OPRD1KLKB1KISS1R
SCHEMBL25601919 0.82 MMP9 (0.49) MMP9MMP8ALDH1A1CYP3A4BACE1
SCHEMBL23977926 0.82 MMP9 (0.49) MMP9MMP8ALDH1A1CYP3A4BACE1
SCHEMBL30973675 0.78 GNPAT (0.65) OPRD1OPRM1RENGNPAT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226226-A1 KAPPA-OPIOID RECEPTOR AGONIST IMPLANTS FOR TREATMENT OF PRURITUS TITAN PHARMACEUTICALS INC (US) 2024-07-11 — — US disclosed
US-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE UNIV LOUISIANA STATE (US) 2023-06-15 — — US disclosed
WO-2021222886-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-11-04 — — WO 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 (2 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-20240226226-A1 KAPPA-OPIOID RECEPTOR AGONIST IMPLANTS FOR TREATMENT OF PRURITUS OPRK1, OPRL1, OPRD1 MMP9 1611/4885MMP8 1151/4885ALDH1A1 3505/4885
US-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE OPRK1, OPRL1, AVPR1A MMP9 1711/4885MMP8 1264/4885ALDH1A1 3843/4885

“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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