Sugi Predict

Sugi Predict / Compounds / SCHEMBL2820733

SCHEMBL2820733

SCHEMBL2820733

COC(=O)C1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ PDK1 Q15118 1/20 0.50
▸ PDK2 Q15119 1/20 0.50
▸ PDK3 Q15120 1/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ NR1H2 P55055 1/20 0.50
▸ NR1H3 Q13133 1/20 0.50
▸ MMP9 P14780 3/20 0.48
▸ MMP1 P03956 2/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ MMP7 P09237 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ KLK7 P49862 1/20 0.47
▸ FKBP1A P62942 1/20 0.47
▸ MITF O75030 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL13681760 1.00 PARP1 (0.55) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL20129643 1.00 PARP1 (0.55) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL6487540 0.96 PDK1 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15298945 0.96 PDK1 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1288345 0.96 PDK1 (0.53) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL21809245 0.94 PARP1 (0.51) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL30289174 0.93 PARP1 (0.57) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15606326 0.93 PARP1 (0.57) PARP1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL8487526 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTPDK1
SCHEMBL6335353 0.90 PARP1 (0.54) PARP1SMN1; SMN2NPC1RAB9AHTT

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
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 — — EP disclosed
US-12319679-B2 Morpholinyl, piperazinyl, oxazepanyl and diazepanyl O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors BIOGEN MA INC. (US) 2025-06-03 — — US disclosed
US-12286434-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2025-04-29 — — US disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 — — WO disclosed
EP-4327814-A2 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2024-02-28 — — EP disclosed
CN-117222646-A KRAS G12C inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-12 — — CN disclosed
EP-3891146-B1 MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL DERIVATIVES USEFUL AS O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC (US) 2023-09-27 — — EP disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 — — US disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 — — US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 — — US disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 — — CN disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 — — WO disclosed
WO-1995000498-A1 N,N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1995-01-05 — — WO disclosed
US-5348955-A Angiotensis II antagonists MERCK & CO., INC. (US) 1994-09-20 — — US disclosed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 — — US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 — — WO disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 — — US disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 — — WO disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 — — US disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 — — EP 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 (4 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-11649235-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 PARP1 630/4885SMN1; SMN2 2765/4885NPC1 134/4885
US-12319679-B2 Morpholinyl, piperazinyl, oxazepanyl and diazepanyl O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors MAN2A1, MAN2B2, MGAT3 PARP1 3527/4885SMN1; SMN2 3045/4885NPC1 651/4885
US-20230271961-A1 Pan-Tropic Entry Inhibitors CXCR4, CCR5, CXCL12 PARP1 555/4885SMN1; SMN2 2404/4885NPC1 192/4885
US-12286434-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 PARP1 630/4885SMN1; SMN2 2765/4885NPC1 134/4885

“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.