SCHEMBL104057

SCHEMBL104057

CC1CCC(NC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
MDM2 Q00987 1/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ADRA2A P08913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
LMNA P02545 1/20 0.30
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 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
SCHEMBL10259802 1.00 EPHX1 (0.41) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL13005885 1.00 EPHX1 (0.41) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL25589882 0.93 EPHX1 (0.42) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL25893991 0.93 EPHX1 (0.42) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL25589883 0.93 EPHX1 (0.42) EPHX1MDM2GAAL3MBTL1MAPK1
SCHEMBL2600363 0.88 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4ALDH1A1
SCHEMBL681668 0.88
SCHEMBL18458286 0.88 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4ALDH1A1
SCHEMBL16171239 0.88 MDM2 (0.41) MDM2GAAL3MBTL1IRAK4ALDH1A1
Hydrochloric Acid SCHEMBL15847512 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024064771-A1 ANTI-CD45-IGN ANTIBODY DRUG CONJUGATES AND USES THEREOF VOR BIOPHARMA INC. (US) 2024-03-28 WO disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230132715-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-13 US disclosed
US-20220356185-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-11-10 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2007-11-22 US disclosed
US-7247648-B2 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY (US) 2007-07-24 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 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 (15 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-20230132715-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885MDM2 37/4885GAA 1234/4885
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, CYP51A1, CD4 EPHX1 711/4885MDM2 3292/4885GAA 1885/4885
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN EPHX1 2109/4885MDM2 2449/4885GAA 1422/4885
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, IFNG, CD4 EPHX1 941/4885MDM2 2502/4885GAA 1600/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS EPHX1 552/4885MDM2 839/4885GAA 2521/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX1 1684/4885MDM2 37/4885GAA 1234/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS EPHX1 552/4885MDM2 839/4885GAA 2521/4885
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 EPHX1 2979/4885MDM2 126/4885GAA 2321/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885MDM2 37/4885GAA 1234/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS EPHX1 552/4885MDM2 839/4885GAA 2521/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 EPHX1 4193/4885MDM2 1191/4885GAA 4095/4885
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF CDK2, CDK20, CDK1 EPHX1 2198/4885MDM2 61/4885GAA 2132/4885
US-20220356185-A1 MERTK DEGRADERS AND USES THEREOF MERTK, ITK, CRKL EPHX1 972/4885MDM2 31/4885GAA 184/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 EPHX1 1684/4885MDM2 37/4885GAA 1234/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 EPHX1 1684/4885MDM2 37/4885GAA 1234/4885

“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.