SCHEMBL1017283

SCHEMBL1017283

CC(C)(C)OC(=O)N1CCc2sc(Br)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.54
NR1H2 P55055 1/20 0.53
HDAC6 Q9UBN7 1/20 0.49
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
ADORA1 P30542 2/20 0.47
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MKNK1 Q9BUB5 3/20 0.42
NAMPT P43490 2/20 0.41
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL23142244 0.92 ESR2 (0.49) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL3003179 0.91 ESR2 (0.49) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL986037 0.90 ESR2 (0.54) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL30816257 0.88 HDAC1 (0.45) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL6421569 0.85 ESR2 (0.55) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL23142179 0.85 ESR2 (0.46) ESR2NR1H2HDAC6ADORA1MAPT
SCHEMBL14876121 0.84 NR1H2 (0.60) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL22369230 0.84 ESR2 (0.54) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL32660197 0.84 ESR2 (0.54) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL1174513 0.84 HDAC6 (0.72) ESR2NR1H2HDAC6BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025103409-A1 NMT INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 南京同诺康医药科技有限公司 2025-05-22 WO disclosed
US-12227524-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2025-02-18 US disclosed
WO-2024149234-A1 PARP7 INHIBITORS AND USES THEREOF Angel Pharmaceutical Co., Ltd. (CN) 2024-07-18 WO disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-20230089247-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA ZYDUS LIFESCIENCES LIMITED (IN) 2023-03-23 US disclosed
WO-2022234470-A1 NOVEL FUSED HETEROCYCLIC COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-11-10 WO disclosed
US-20220153756-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2022-05-19 US disclosed
US-11279714-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2022-03-22 US disclosed
US-11014917-B2 5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-25 US disclosed
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 EP disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1035850-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-09-12 EP disclosed
EP-1035850-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-09-20 EP disclosed
US-6015817-A IMIDAZOLE-SUBSTITUTED THIENO(3,2-C)PYRIDINE DERIVATIVES; ANTICARCINOGENIC AGENTS, VIRICIDES; NERVOUS SYSTEM DISORDERS, VISION DEFECTS, KIDNEY DISEASES MERCK & CO., INC. (US) 2000-01-18 US disclosed
WO-1999027929-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 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 (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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS RABGGTB, ELANE, SERPINB1 ESR2 3165/4885NR1H2 885/4885HDAC6 179/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 ESR2 1905/4885NR1H2 279/4885HDAC6 551/4885
US-12227524-B2 Anti-infective compounds RABGGTB, ELANE, SERPINB1 ESR2 3165/4885NR1H2 885/4885HDAC6 179/4885
US-20230089247-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA PCSK9, CETP, LCAT ESR2 1961/4885NR1H2 14/4885HDAC6 704/4885
US-11014917-B2 5-fluoro-c-(aryl or heterocyclyl)-glycoside derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 ESR2 1069/4885NR1H2 451/4885HDAC6 398/4885
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 ESR2 3005/4885NR1H2 3748/4885HDAC6 2368/4885
US-11279714-B2 Anti-infective compounds FNTB, LSS, PGLS ESR2 3071/4885NR1H2 565/4885HDAC6 136/4885

“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.