SCHEMBL393333

SCHEMBL393333

CC(C)(C)c1nccc(O)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SYK P43405 1/20 0.32
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA2 P00918 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
SCHEMBL31493027 0.83 MAP4K1 (0.35)
SCHEMBL5771285 0.83 MALT1 (0.33)
SCHEMBL31543481 0.79 HSD17B10 (0.31)
SCHEMBL18428 0.77 MALT1 (0.46)
SCHEMBL11097271 0.77
SCHEMBL790845 0.74 UHRF1 (0.36) ADORA2AADORA1LMNAKMT2A
SCHEMBL279200 0.74 SYK (0.39) ADORA2AADORA1SYKLMNA
SCHEMBL24759679 0.74 PLCG1 (0.42) LMNAKDM4EKMT2ACYP2C19
SCHEMBL24759320 0.74 NUDT1 (0.36)
SCHEMBL803797 0.73 ADORA2A (0.34) ADORA2AADORA1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US disclosed
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 GBIOTECH S.À.R.L. (CH) 2022-09-01 US disclosed
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2021-10-05 US disclosed
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS 2019-10-31 US disclosed
WO-2018112077-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS (US) 2018-06-21 WO disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-8921555-B2 Substituted-1,3,8-triazaspiro[4.5]decane-2,4-diones MERCK SHARP & DOHME CORP. (US) 2014-12-30 US disclosed
EP-1817037-B1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2012-04-19 US disclosed
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-04-19 US disclosed
US-8101754-B2 e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases ABBOTT GMBH & CO. KG (DE) 2012-01-24 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-17 US disclosed
EP-1817037-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-08-15 EP disclosed
WO-2006058753-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-06-08 WO disclosed
EP-1484330-B1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2005-10-26 EP disclosed
US-6919342-B2 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2005-07-19 US disclosed
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-12-23 US disclosed
EP-1484330-A1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2004-12-08 EP 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 (10 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-20120095001-A1 SUBSTITUTED-1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES HIF1AN, HIF1A, EGLN2 ADORA2A 2610/4885ADORA1 1588/4885SYK 4204/4885
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 ADORA2A 4029/4885ADORA1 2020/4885SYK 4827/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 ADORA2A 71/4885ADORA1 68/4885SYK 2617/4885
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, SLC6A3, DRD2 ADORA2A 133/4885ADORA1 30/4885SYK 2671/4885
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 ADORA2A 51/4885ADORA1 22/4885SYK 3344/4885
US-20080171751-A1 Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRB3, DRD3, ADORA3 ADORA2A 57/4885ADORA1 27/4885SYK 3373/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ADORA2A 1159/4885ADORA1 1353/4885SYK 3968/4885
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 ADORA2A 4029/4885ADORA1 2020/4885SYK 4827/4885
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CERS2, DEGS1, SMPD1 ADORA2A 4029/4885ADORA1 2020/4885SYK 4827/4885
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 FFAR2, FFAR1, FFAR3 ADORA2A 146/4885ADORA1 119/4885SYK 2398/4885

“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.