Sugi Predict

Sugi Predict / Compounds / SCHEMBL450677

SCHEMBL450677

SCHEMBL450677

CC(C)(C)OC(=O)N1CCc2cc(O)ccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 8/20 1.00
▸ NR1H2 P55055 1/20 0.66
▸ ESR1 P03372 7/20 0.60
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ABHD6 Q9BV23 3/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DRD5 P21918 1/20 0.45

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
SCHEMBL29590844 1.00 ESR2 (1.00) ESR2NR1H2ESR1CA1CA2
SCHEMBL545619 0.94 ESR2 (0.90) ESR2NR1H2ESR1CA1CA2
SCHEMBL29372093 0.94 ESR2 (0.90) ESR2NR1H2ESR1CA1CA2
SCHEMBL3702146 0.92 ESR2 (0.85) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL2132877 0.92 ESR2 (0.84) ESR2NR1H2ESR1NPC1RAB9A
SCHEMBL1168098 0.88 ESR2 (0.79) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL19684692 0.88 ESR2 (0.78) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL31621670 0.88 ESR2 (0.78) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL1648703 0.86 ESR2 (0.76) ESR2NR1H2ESR1MAPK1ABHD6
SCHEMBL29598893 0.86 ESR2 (0.76) ESR2NR1H2ESR1MAPK1ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 — — EP disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
US-20250282781-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2025-09-11 — — US disclosed
EP-3463362-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-03 — — EP disclosed
US-12344610-B2 APOL1 inhibitors and methods of use MAZE THERAPEUTICS, INC. (US) 2025-07-01 — — US disclosed
WO-2025101738-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE PRELUDE THERAPEUTICS INCORPORATED (US) 2025-05-15 — — WO disclosed
WO-2025019599-A2 BIFUNCTIONAL KINASE BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-01-23 — — WO disclosed
US-20240408216-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE JING MEDICINE TECHNOLOGY (SHANGHAI) LTD. (CN) 2024-12-12 — — US disclosed
WO-2024249254-A2 METHODS OF USING APOL1 INHIBITORS MAZE THERAPEUTICS, INC. (US) 2024-12-05 — — WO disclosed
US-20240400565-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2024-12-05 — — US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 — — EP disclosed
US-5726185-A BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELET AGGREGATION AND CELL TO CELL ADHESION HOFFMANN-LA ROCHE INC. (US) 1998-03-10 — — US disclosed
US-5700809-A Pyrrolo-pyridine derivatives MERCK SHARP & DOHME, LTD. (GB) 1997-12-23 — — US disclosed
US-5688798-A PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. (US) 1997-11-18 — — US disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 — — WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 — — WO disclosed
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 — — EP disclosed
WO-1995014469-A1 NOVEL SPIROCYCLES MERCK & CO., INC. (US) 1995-06-01 — — WO disclosed
US-5403846-A Antiarrhythmic agents MERCK & CO., INC. (US) 1995-04-04 — — US disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 — — 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 (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-12344610-B2 APOL1 inhibitors and methods of use APOL1, APOB, PON1 ESR2 1445/4885NR1H2 44/4885ESR1 3024/4885
US-20240408216-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE PSME1, IDE, PRUNE1 ESR2 3299/4885NR1H2 4274/4885ESR1 2052/4885
US-20250282781-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, PON1 ESR2 1445/4885NR1H2 44/4885ESR1 3024/4885
US-20240400565-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, PON1 ESR2 1445/4885NR1H2 44/4885ESR1 3024/4885

“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.