SCHEMBL29612192

SCHEMBL29612192

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)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
BACE1 P56817 3/20 0.50
CASP3 P42574 2/20 0.50
BACE2 Q9Y5Z0 2/20 0.50
CASP7 P55210 1/20 0.50
ENPEP Q07075 3/20 0.49
CASP1 P29466 2/20 0.48
F2 P00734 2/20 0.48
CASP9 P55211 1/20 0.48
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NPY4R P50391 1/20 0.47
NTSR2 O95665 1/20 0.47
NTSR1 P30989 1/20 0.47
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 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
SCHEMBL29612188 0.96 OPRD1 (0.56) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL29612296 0.94 OPRD1 (0.53) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL29611743 0.94 BACE1 (0.51) BACE1CASP3BACE2CASP1F2
SCHEMBL29611639 0.93 OPRD1 (0.57) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL29611329 0.93 CASP1 (0.55) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL29611583 0.92 NPY1R (0.52) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL30570969 0.91 OPRD1 (0.56) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL29363254 0.90 NPY1R (0.54) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL30704485 0.89 OPRD1 (0.55) OPRD1BACE1CASP3BACE2CASP7
SCHEMBL30575177 0.89 NPY1R (0.56) ENPEPNPY1RNPY2RNPY4RNTSR2

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 3288/4885CASP3 2206/4885
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 3288/4885CASP3 2206/4885

“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.