SCHEMBL588285

SCHEMBL588285

CC(C)(C)OC(=O)N1CCc2cccc(Br)c2C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.65
ESR2 Q92731 1/20 0.54
NR1H2 P55055 1/20 0.53
MAPK1 P28482 1/20 0.50
UCHL1 P09936 2/20 0.49
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
NAMPT P43490 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
SCN9A Q15858 1/20 0.43
MAPT P10636 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
SCHEMBL29417735 1.00 ABHD6 (0.65) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL29417737 1.00 ABHD6 (0.65) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL16787751 0.92 ABHD6 (0.56) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL29574444 0.92 ABHD6 (0.56) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL24265583 0.91 ABHD6 (0.53) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL29421744 0.90 ABHD6 (0.65) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL2119725 0.90 ABHD6 (0.65) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL3578620 0.88 ABHD6 (0.62) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL29421757 0.88 ABHD6 (0.62) ABHD6ESR2NR1H2MAPK1UCHL1
SCHEMBL19608875 0.86 ESR2 (0.56) ABHD6ESR2NR1H2MAPK1UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903052-A Preparation method of 2-Boc-8-carboxyl-1, 2,3, 4-tetrahydroisoquinoline 苏州艾缇克药物化学有限公司 2024-04-19 CN claimed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
US-20250101003-A1 SPIROCYCLIC CAV2.3 ANTAGONISTS LARIO THERAPEUTICS LIMITED (GB) 2025-03-27 US disclosed
EP-4436661-A1 SPIROCYCLIC CAV2.3 ANTAGONISTS Lario Therapeutics Limited (GB) 2024-10-02 EP disclosed
US-20240293392-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-09-05 US disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
CN-117903052-A Preparation method of 2-Boc-8-carboxyl-1, 2,3, 4-tetrahydroisoquinoline 苏州艾缇克药物化学有限公司 2024-04-19 CN disclosed
CN-117903052-A Preparation method of 2-Boc-8-carboxyl-1, 2,3, 4-tetrahydroisoquinoline 苏州艾缇克药物化学有限公司 2024-04-19 CN disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 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 (4 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-20240293392-A1 INHIBITOR COMPOUNDS MSH2, PMS2, MSH6 ABHD6 4782/4885ESR2 568/4885NR1H2 2027/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ABHD6 2649/4885ESR2 3455/4885NR1H2 4355/4885
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 ABHD6 4402/4885ESR2 2853/4885NR1H2 3328/4885
US-20250101003-A1 SPIROCYCLIC CAV2.3 ANTAGONISTS CACNA1A, CACNA1E, CACNA1S ABHD6 4809/4885ESR2 1259/4885NR1H2 930/4885

“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.