SCHEMBL29612296

SCHEMBL29612296

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.53
BACE1 P56817 3/20 0.52
BACE2 Q9Y5Z0 3/20 0.52
CASP1 P29466 2/20 0.49
F2 P00734 2/20 0.48
CASP3 P42574 2/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
NPY4R P50391 1/20 0.46

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
SCHEMBL29612185 0.95 BACE1 (0.52) OPRD1BACE1BACE2CASP1F2
SCHEMBL29612188 0.94 OPRD1 (0.56) OPRD1BACE1BACE2CASP1CASP3
SCHEMBL29612192 0.94 OPRD1 (0.51) OPRD1BACE1BACE2CASP1F2
SCHEMBL29611360 0.92 OPRD1 (0.53) OPRD1BACE1BACE2CASP1F2
SCHEMBL29611743 0.89 BACE1 (0.51) BACE1BACE2CASP1F2CASP3
SCHEMBL29611639 0.89 OPRD1 (0.57) OPRD1BACE1BACE2CASP3CASP7
SCHEMBL29611819 0.87 F2 (0.59) BACE1BACE2F2
SCHEMBL29611561 0.87 BACE1 (0.58) OPRD1BACE1BACE2CASP1
SCHEMBL24739787 0.86 CASP1 (0.53) OPRD1BACE1BACE2CASP1F2
SCHEMBL26655866 0.86 CASP1 (0.53) OPRD1BACE1BACE2CASP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2025-09-23 US disclosed
US-20220183950-A1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2022-06-16 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 (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-20220183950-A1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES TYR, TELO2, MTX2 OPRD1 3556/4885BACE1 3288/4885BACE2 3110/4885
US-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, TELO2, MTX2 OPRD1 3556/4885BACE1 3288/4885BACE2 3110/4885

“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.