SCHEMBL21423992

SCHEMBL21423992

CC(C)c1ccc(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ USP30 Q70CQ3 10/20 0.52
▸ PARP1 P09874 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ DDR1 Q08345 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL22920559 0.86 USP30 (0.54) USP30PARP1HDAC4HDAC6DDR1
SCHEMBL29689880 0.85 NPC1 (0.62) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL21423844 0.83 USP30 (0.52) USP30PARP1HDAC4HDAC6DDR1
SCHEMBL21424242 0.79 HTT (0.51) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL23387204 0.78 ALDH1A1 (0.68) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL13883781 0.78 NPC1 (0.65) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL21624912 0.76 NPC1 (0.55) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL27370167 0.76 GPR119 (0.65) USP30GPR119
SCHEMBL30718465 0.76 GPR119 (0.65) USP30GPR119
SCHEMBL31439476 0.74 LMNA (0.54) NPC1ALDH1A1MAPTMAPK1HTT

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-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 — — US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 — — US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 — — 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 (3 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-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 NPC1 189/4885ALDH1A1 715/4885MAPT 1819/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 NPC1 189/4885ALDH1A1 715/4885MAPT 1819/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 NPC1 900/4885ALDH1A1 4262/4885MAPT 474/4885

“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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