SCHEMBL29590422

SCHEMBL29590422

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ CALCRL Q16602 1/20 0.42
▸ BACE1 P56817 4/20 0.39
▸ CTSD P07339 2/20 0.39
▸ REN P00797 1/20 0.38
▸ OPRK1 P41145 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CAPN1 P07384 2/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34

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
SCHEMBL30062703 0.89 CALCRL (0.51) OPRM1OPRD1CALCRLBACE1CTSD
SCHEMBL30974462 0.88 TERT (0.41) CALCRLBACE1CTSDREN
SCHEMBL29926499 0.85 CALCRL (0.41) OPRM1OPRD1CALCRLBACE1CTSD
SCHEMBL30039158 0.84 CTSD (0.38) OPRM1OPRD1CALCRLBACE1CTSD
SCHEMBL30353294 0.84 CALCRL (0.49) CALCRLBACE1
SCHEMBL30037378 0.83 CALCRL (0.41) CALCRLBACE1CTSDREN
SCHEMBL30099495 0.82 MEN1 (0.41) REN
SCHEMBL29388130 0.82 TERT (0.41) CALCRLBACE1REN
SCHEMBL30454977 0.82 CALCRL (0.43) OPRM1OPRD1CALCRLRENOPRK1
SCHEMBL31518654 0.81 TERT (0.42) CALCRLRENKEAP1MAPK8MAPK9

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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited (GB) 2026-05-05 — — US disclosed
US-20220112547-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-04-14 — — 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 (1 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-12618102-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions POLM, POLR1A, POLR1E OPRM1 4101/4885OPRD1 4566/4885CALCRL 1768/4885

“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.

Send feedback