Sugi Predict

Sugi Predict / Compounds / SCHEMBL704922

SCHEMBL704922

SCHEMBL704922

CC(C)(C)OC(=O)N1CC(F)(F)CC1C=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL704921 1.00 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL16042147 1.00 NR1H2 (0.34) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL28636685 0.87 EPHX2 (0.33) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL22108626 0.87 EPHX2 (0.33) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL16749353 0.85 CHRM2 (0.35) NR1H2CHRM2CHRM1CHRM3DDB1
SCHEMBL16749562 0.85 CHRM2 (0.35) NR1H2CHRM2CHRM1CHRM3DDB1
SCHEMBL17924693 0.85 CHRM2 (0.35) NR1H2CHRM2CHRM1CHRM3DDB1
SCHEMBL15229449 0.85 EPHX2 (0.35) NR1H2EPHX2DDB1CRBNHSD17B10
SCHEMBL903369 0.83 NR1H2 (0.35) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL26782338 0.83 NR1H2 (0.35) NR1H2HDAC8CHRM2CHRM1CHRM3

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-12612414-B2 Nitrile SUMO inhibitors and uses thereof CIT THERAPEUTICS, INC. (US) 2026-04-28 — — US disclosed
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF CIT THERAPEUTICS LLC 2024-10-31 — — US disclosed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 — — EP disclosed
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 — — CN disclosed
EP-4046995-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2023-09-13 — — EP disclosed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 — — WO disclosed
EP-4046995-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS Sunovion Pharmaceuticals Inc. (US) 2022-08-24 — — EP disclosed
EP-3256466-B9 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2022-07-27 — — EP disclosed
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2022-06-16 — — US disclosed
EP-3256466-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2022-04-06 — — EP disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 — — WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — 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 (7 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 NR1H2 2538/4885HDAC8 2560/4885CHRM2 2236/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 NR1H2 2669/4885HDAC8 2614/4885CHRM2 1982/4885
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF SUMO1, SUMO3, SUMO2 NR1H2 3556/4885HDAC8 2327/4885CHRM2 3910/4885
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof SUMO1, SUMO3, PSMB6 NR1H2 2552/4885HDAC8 1126/4885CHRM2 3237/4885
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 NR1H2 138/4885HDAC8 234/4885CHRM2 4419/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 NR1H2 2668/4885HDAC8 2559/4885CHRM2 2195/4885
US-20220185799-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 NR1H2 298/4885HDAC8 268/4885CHRM2 60/4885

“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.