Sugi Predict

Sugi Predict / Compounds / SCHEMBL582271

SCHEMBL582271

SCHEMBL582271

CC(C)(C)OC(=O)N1CCC(=O)CC1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.53
▸ NR1H3 Q13133 2/20 0.53
▸ PARP1 P09874 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ KLK7 P49862 6/20 0.45
▸ GPR119 Q8TDV5 2/20 0.43
▸ STS P08842 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ KLK5 Q9Y337 5/20 0.42
▸ ABHD6 Q9BV23 1/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40

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
SCHEMBL15880038 1.00 NR1H2 (0.53) NR1H2NR1H3PARP1DPP4HDAC1
SCHEMBL15353299 1.00 NR1H2 (0.53) NR1H2NR1H3PARP1DPP4HDAC1
SCHEMBL18589365 0.88 OPRK1 (0.43) NR1H2NR1H3PARP1STS
SCHEMBL15358971 0.88 CCR3 (0.44) NR1H2NR1H3PARP1DPP4
SCHEMBL582498 0.88 OPRK1 (0.43) NR1H2NR1H3PARP1STS
SCHEMBL29997923 0.84 NR1H2 (0.50) NR1H2NR1H3PARP1DPP4HDAC1
SCHEMBL28334137 0.84 NR1H2 (0.56) NR1H2NR1H3PARP1DPP4HDAC1
SCHEMBL28334140 0.84 NR1H2 (0.56) NR1H2NR1H3PARP1DPP4HDAC1
SCHEMBL28052129 0.84 JAK2 (0.45) NR1H2NR1H3PARP1STSJAK2
SCHEMBL14630965 0.84 PSEN1 (0.53) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4069366-B1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2025-03-19 — — EP disclosed
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 — — CN disclosed
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 — — US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 — — US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 — — EP disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 — — US disclosed
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 — — US disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 — — EP disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 — — US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 — — EP disclosed
CN-102015708-A Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2011-04-13 — — CN disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 — — US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 — — WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 — — US disclosed
US-6346540-B1 SUBSTANCE P ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL AND BRAIN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-12 — — US disclosed
EP-0855999-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-04 — — EP disclosed
US-6169097-B1 1-(1,2-Disubstituted piperidinyl)-4-substituted piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-02 — — US disclosed
EP-0855999-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-08-05 — — EP disclosed
WO-1997024324-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 — — 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 NR1H2 1917/4885NR1H3 2051/4885PARP1 278/4885
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA NR1H2 1663/4885NR1H3 1678/4885PARP1 1157/4885
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 NR1H2 1815/4885NR1H3 1769/4885PARP1 609/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 NR1H2 1411/4885NR1H3 2008/4885PARP1 4513/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 NR1H2 1815/4885NR1H3 1769/4885PARP1 609/4885
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 NR1H2 50/4885NR1H3 31/4885PARP1 3832/4885

“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.