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SCHEMBL2277894

SCHEMBL2277894

COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.67
▸ ESR2 Q92731 2/20 0.62
▸ HDAC6 Q9UBN7 4/20 0.52
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC1 Q13547 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ ESR1 P03372 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
SCHEMBL29589913 1.00 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL3024823 0.95 ESR2 (0.69) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL30301758 0.95 ESR2 (0.69) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL5663801 0.92 ESR2 (0.57) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL329653 0.90 HDAC1 (0.56) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL30091911 0.90 HDAC1 (0.56) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL1263486 0.88 ESR2 (0.59) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL25110311 0.88 NR1H2 (0.67) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL29373737 0.87 NR1H2 (0.70) NR1H2ESR2HDAC6HDAC8HDAC1
SCHEMBL622590 0.87 NR1H2 (0.70) NR1H2ESR2HDAC6HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 — — US disclosed
EP-4688779-A2 NOVEL COMPOUNDS AND USES THEREOF Acelink Therapeutics, Inc. (US) 2026-02-11 — — EP disclosed
WO-2024211244-A2 NOVEL COMPOUNDS AND USES THEREOF ACELINK THERAPEUTICS, INC. (US) 2024-10-10 — — WO disclosed
EP-4219504-A1 MACROCYCLIC TLR7 AGONIST, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Visonpharma Co., Ltd. (CN) 2023-08-02 — — EP disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 — — US disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司（CN） 2023-01-13 — — CN disclosed
US-11459321-B2 Broad spectrum antiviral compositions and methods EVRYS BIO, LLC (US) 2022-10-04 — — US disclosed
CN-113880866-B Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-09-27 — — CN disclosed
CN-113880866-A Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-01-04 — — CN disclosed
US-20210139475-A1 Broad Spectrum Antiviral Compositions and Methods EVRYS BIO, LLC (US) 2021-05-13 — — US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 — — US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 — — US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 — — US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 — — US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 — — US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 — — WO disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 — — WO disclosed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 — — WO disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 — — EP disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 — — 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 (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-11459321-B2 Broad spectrum antiviral compositions and methods IRF3, MAVS, ZC3HAV1 NR1H2 1472/4885ESR2 3487/4885HDAC6 24/4885
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 NR1H2 476/4885ESR2 1027/4885HDAC6 1626/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 NR1H2 701/4885ESR2 435/4885HDAC6 2992/4885
US-20210139475-A1 Broad Spectrum Antiviral Compositions and Methods MAVS, IRF3, ZC3HAV1 NR1H2 1583/4885ESR2 3095/4885HDAC6 16/4885
US-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B NR1H2 543/4885ESR2 575/4885HDAC6 1670/4885
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 NR1H2 946/4885ESR2 3180/4885HDAC6 7/4885

“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.