SCHEMBL5765569

SCHEMBL5765569

COC(=O)C1(c2ccccc2)CCC(=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 1/20 0.50
HSD11B1 P28845 1/20 0.49
KCNA3 P22001 3/20 0.47
OPRM1 P35372 5/20 0.47
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM3 P20309 1/20 0.45
AKR1C1 Q04828 1/20 0.44
HTT P42858 1/20 0.44
HDAC4 P56524 1/20 0.44
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13226485 0.92 MEN1 (0.47) MEN1KMT2ACYP2C9HSD11B1KCNA3
SCHEMBL16137494 0.92 MEN1 (0.47) MEN1KMT2ACYP2C9HSD11B1KCNA3
Iodomethane SCHEMBL3898463 0.88 MEN1 (0.53) MEN1KMT2AHSD11B1KCNA3OPRM1
SCHEMBL349195 0.88 MEN1 (0.56) MEN1KMT2AHSD11B1KCNA3OPRM1
SCHEMBL16897591 0.85 OPRM1 (0.47) MEN1KMT2ACYP2C9HSD11B1KCNA3
SCHEMBL1041983 0.84 AKR1C1 (0.63) MEN1KMT2AHSD11B1CHRM3AKR1C1
SCHEMBL2481767 0.84 AKR1C1 (0.58) MEN1KMT2AHSD11B1KCNA3OPRM1
SCHEMBL15348097 0.84 PDE4A (0.39) HSD11B1KCNA3OPRM1
SCHEMBL11047897 0.84 OPRM1 (0.47) MEN1KMT2AHSD11B1KCNA3OPRM1
SCHEMBL16287573 0.84 KCNA3 (0.48) KMT2AKCNA3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
CN-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 CN disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 WO disclosed
EP-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-10-23 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-10-26 US disclosed
US-6825230-B2 PEROXY COMPOUNDS SUCH AS ADAMANTANE-2-SPIRO-3'-8'-((1'S)-10'-CAMPHORSULFONYL)-1',2',4'-TRIOXA-8' -AZASPIRO(4.5) DECANE, USED FOR PROPHYLAXIS OF MALARIA OR SCHISTOSOMIASIS INFECTIONS MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-11-30 US disclosed
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURES MMV (CH) 2004-02-26 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
EP-1286978-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 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 (6 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A MEN1 3255/4885KMT2A 2954/4885CYP2C9 973/4885
US-20170305900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 MEN1 3789/4885KMT2A 84/4885CYP2C9 3154/4885
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE MEN1 788/4885KMT2A 3704/4885CYP2C9 444/4885
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 MEN1 2901/4885KMT2A 2774/4885CYP2C9 917/4885
US-10106535-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 MEN1 3789/4885KMT2A 84/4885CYP2C9 3154/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 MEN1 3912/4885KMT2A 3071/4885CYP2C9 1874/4885

“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.