SCHEMBL1817445

SCHEMBL1817445

CC(C)(C)OC(=O)N1CCn2cc(C(=O)O)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
MGLL Q99685 3/20 0.41
NR1H2 P55055 2/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL14553991 0.90 MGLL (0.43) HDAC6MGLLNR1H2HTTATM
SCHEMBL19609080 0.87 NR1H2 (0.50) HDAC6MGLLNR1H2HTTATM
SCHEMBL14552561 0.86 MGLL (0.44) HDAC6MGLLNR1H2HTTATM
SCHEMBL5276608 0.85 MGLL (0.44) HDAC6MGLLNR1H2HTTATM
SCHEMBL2752401 0.84 ADORA1 (0.47) ADORA1HDAC6MGLLNR1H2ATM
SCHEMBL5267788 0.83 MGLL (0.44) HDAC6MGLLNR1H2HTTATM
SCHEMBL15933470 0.83 NR1H2 (0.41) ADORA1NR1H2HTTATMCKS1B
SCHEMBL25811604 0.82 ADORA1 (0.39) ADORA1HDAC6MGLLNR1H2HTT
SCHEMBL3720467 0.82 NR1H2 (0.39) ADORA1NR1H2HTTATMCKS1B
SCHEMBL15882223 0.81 NR1H2 (0.40) ADORA1NR1H2HTTATMCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
CN-111050765-B Spiro compounds and methods of making and using the same H.隆德贝克有限公司 2024-01-02 CN disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 US disclosed
US-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
US-11142526-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-10-12 US disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 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 (5 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN ADORA1 4562/4885HDAC6 1752/4885MGLL 1651/4885
US-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 ADORA1 1616/4885HDAC6 287/4885MGLL 4761/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ADORA1 4562/4885HDAC6 1752/4885MGLL 1651/4885
US-11142526-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, OPRK1 ADORA1 3325/4885HDAC6 1481/4885MGLL 2/4885
US-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B ADORA1 313/4885HDAC6 1670/4885MGLL 4607/4885

“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.