SCHEMBL978540

SCHEMBL978540

CC(C)c1ccc(NC(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
AAK1 Q2M2I8 8/20 0.49
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP17A1 P05093 1/20 0.40
PIK3CD O00329 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
BACE1 P56817 1/20 0.39
PRKDC P78527 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL197145 0.82 HDAC1 (0.55) AAK1HTTCYP17A1
SCHEMBL29581478 0.82 HDAC1 (0.55) AAK1HTTCYP17A1
SCHEMBL3410364 0.82 HPGD (0.49) AAK1ALDH1A1CYP17A1ALOX15
SCHEMBL15160030 0.82 GAA (0.52) NPC1MAPTAAK1GAACYP17A1
SCHEMBL8478429 0.82 RXFP1 (0.41) NPC1MAPTRAB9AALDH1A1CYP17A1
SCHEMBL26796257 0.82 MEN1 (0.48) ALDH1A1GAAHTTPIK3CDABL1
SCHEMBL4568015 0.81 MEN1 (0.53) MAPTALDH1A1GAA
SCHEMBL10083477 0.81 AAK1 (0.47) MAPTAAK1GAACYP17A1ALOX15
SCHEMBL3786645 0.80 AAK1 (0.53) NPC1MAPTAAK1GAACYP17A1
SCHEMBL5868826 0.79 AAK1 (0.46) MAPTAAK1GAACYP17A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148704-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2020-05-14 US disclosed
EP-3524324-A1 HISTONE DEACETYLASE INHIBITORS BioMarin Pharmaceutical Inc. (US) 2019-08-14 EP disclosed
EP-2680694-B1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARM INC (US) 2019-01-02 EP disclosed
US-20180208606-A1 HISTONE DEACETYLASE INHIBITORS REPLIGEN CORPORATION 2018-07-26 US disclosed
US-20170050984-A1 HISTONE DEACETYLASE INHIBITORS REPLIGEN CORPORATION 2017-02-23 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (7 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 NPC1 2855/4885MAPT 4357/4885RAB9A 1527/4885
US-20200148704-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 NPC1 781/4885MAPT 1376/4885RAB9A 3062/4885
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 NPC1 2881/4885MAPT 2144/4885RAB9A 1395/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 NPC1 3580/4885MAPT 4011/4885RAB9A 2325/4885
US-20180208606-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 NPC1 781/4885MAPT 1376/4885RAB9A 3062/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 NPC1 3580/4885MAPT 4011/4885RAB9A 2325/4885
US-20170050984-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 NPC1 781/4885MAPT 1376/4885RAB9A 3062/4885

“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.