SCHEMBL29612206

SCHEMBL29612206

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.54
F2 P00734 2/20 0.53
MDM4 O15151 1/20 0.53
MDM2 Q00987 1/20 0.53
NPY4R P50391 9/20 0.51
NPY1R P25929 6/20 0.51
NPY2R P49146 4/20 0.51
NPY5R Q15761 4/20 0.51
KISS1R Q969F8 2/20 0.48
BACE2 Q9Y5Z0 1/20 0.47

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
SCHEMBL30713461 0.95 BACE1 (0.61) BACE1F2MDM4MDM2BACE2
SCHEMBL30839323 0.94 NPY4R (0.59) BACE1F2NPY4RNPY1RNPY2R
SCHEMBL29612075 0.94 NPY4R (0.60) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL30903451 0.92 NPY4R (0.53) BACE1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31514343 0.91 F2 (0.56) BACE1F2MDM4MDM2KISS1R
SCHEMBL31206418 0.90 GRB2 (0.51) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL30541914 0.89 NPY4R (0.59) F2NPY4RNPY1RNPY2RNPY5R
SCHEMBL30571155 0.89 BACE1 (0.54) BACE1F2MDM4MDM2KISS1R
SCHEMBL31157662 0.89 ENPEP (0.52) BACE1MDM4MDM2NPY4RNPY1R
SCHEMBL31468447 0.88 NPY4R (0.53) BACE1F2NPY4RNPY1RNPY2R

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 BACE1 3288/4885F2 967/4885MDM4 520/4885
US-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, TELO2, MTX2 BACE1 3288/4885F2 967/4885MDM4 520/4885

“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.