SCHEMBL29611599

SCHEMBL29611599

CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.48
NTSR1 P30989 6/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
NTSR2 O95665 4/20 0.47
OPRM1 P35372 3/20 0.46
OPRK1 P41145 3/20 0.46
OPRD1 P41143 2/20 0.46
NMUR2 Q9GZQ4 4/20 0.45
NMUR1 Q9HB89 3/20 0.45
SORT1 Q99523 2/20 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
SCHEMBL29612055 0.95 CAPN1 (0.50) CAPN1NTSR1MAPK8MAPK9MAPK10
SCHEMBL29611574 0.94 CAPN1 (0.50) CAPN1NTSR1NTSR2NMUR2NMUR1
SCHEMBL29611889 0.94 CAPN1 (0.48) CAPN1NTSR1MAPK8MAPK9MAPK10
SCHEMBL29612057 0.92 CAPN1 (0.47) CAPN1NTSR1MAPK8MAPK9MAPK10
SCHEMBL29611741 0.92 CAPN1 (0.56) CAPN1NTSR1NMUR2NMUR1
SCHEMBL29611481 0.88 CAPN1 (0.51) CAPN1NTSR1NTSR2OPRM1OPRK1
SCHEMBL29611475 0.88 CALCRL (0.44) CAPN1NTSR1NTSR2SORT1
SCHEMBL29611888 0.88 NTSR2 (0.47) NTSR1NTSR2OPRM1OPRK1NMUR2
SCHEMBL29611576 0.88 CAPN1 (0.48) CAPN1NTSR1MAPK8MAPK9MAPK10
SCHEMBL29611806 0.88 CAPN1 (0.51) CAPN1NTSR1NTSR2OPRM1OPRK1

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 CAPN1 4460/4885NTSR1 2437/4885MAPK8 3825/4885
US-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, TELO2, MTX2 CAPN1 4460/4885NTSR1 2437/4885MAPK8 3825/4885

“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.