SCHEMBL29213385

SCHEMBL29213385

C[C@H](N[C@@H](CCC(C)(C)C)C(=O)O)c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.42
▸ SORT1 Q99523 4/20 0.42
▸ RIPK1 Q13546 2/20 0.34
▸ VNN1 O95497 2/20 0.33
▸ PYGL P06737 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CPB1 P15086 1/20 0.30
▸ CPB2 Q96IY4 1/20 0.30

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
SCHEMBL29213382 1.00 GRN (0.42) GRNSORT1RIPK1VNN1PYGL
SCHEMBL29213384 1.00 GRN (0.42) GRNSORT1RIPK1VNN1PYGL
SCHEMBL29213463 1.00 GRN (0.42) GRNSORT1RIPK1VNN1PYGL
SCHEMBL30219083 0.85 NPSR1 (0.37) GRNSORT1VNN1CYP2C9
SCHEMBL30219105 0.81 RIPK1 (0.51) GRNSORT1RIPK1CTSK
SCHEMBL31052820 0.81 GRN (0.45) GRNSORT1RIPK1PYGLCYP2C9
SCHEMBL30219049 0.81 RIPK1 (0.51) GRNSORT1RIPK1CTSK
Hydrochloric Acid SCHEMBL30219092 0.80 RIPK1 (0.50) GRNSORT1RIPK1CTSK
SCHEMBL31052905 0.77 GRN (0.41) GRNSORT1PYGLCYP2C9ITGAV
SCHEMBL29213329 0.76 GRN (0.43) GRNSORT1RIPK1VNN1PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268854-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM VESPER BIO APS (DK) 2025-08-28 — — US claimed
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP claimed
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN claimed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO claimed
US-20250268854-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM VESPER BIO APS (DK) 2025-08-28 — — US disclosed
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP disclosed
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN disclosed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO 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-20250268854-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM SORT1, NMUR2, NMUR1 GRN 562/4885SORT1 1/4885RIPK1 3044/4885

“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.

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