SCHEMBL30219083

SCHEMBL30219083

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 9/20 0.37
▸ POLB P06746 7/20 0.37
▸ TDP1 Q9NUW8 7/20 0.37
▸ MAPT P10636 10/20 0.36
▸ RECQL P46063 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NPR3 P17342 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL29213384 0.85 GRN (0.42) CYP2C9VNN1GRNSORT1
SCHEMBL29213385 0.85 GRN (0.42) CYP2C9VNN1GRNSORT1
SCHEMBL29213463 0.85 GRN (0.42) CYP2C9VNN1GRNSORT1
SCHEMBL29213382 0.85 GRN (0.42) CYP2C9VNN1GRNSORT1
SCHEMBL27485847 0.73 APP (0.42) NPSR1POLBTDP1MAPTRECQL
SCHEMBL31052820 0.70 GRN (0.45) MAPK1ALDH1A1CYP2C9GRNSORT1
SCHEMBL2611916 0.69 GRN (0.36) NPSR1POLBTDP1MAPTMEN1
SCHEMBL30219105 0.67 RIPK1 (0.51) POLBMEN1KMT2AGRNSORT1
SCHEMBL30219049 0.67 RIPK1 (0.51) POLBMEN1KMT2AGRNSORT1
Hydrochloric Acid SCHEMBL30219092 0.66 RIPK1 (0.50) POLBMEN1KMT2AGRNSORT1

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 3 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 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
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 NPSR1 187/4885POLB 4797/4885TDP1 2884/4885

“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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