SCHEMBL1049753

SCHEMBL1049753

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TP53 P04637 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPK1 P28482 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
DPP4 P27487 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
STS P08842 1/20 0.46
LIPG Q9Y5X9 1/20 0.45
ACHE P22303 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
DTYMK P23919 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL327031 0.93 L3MBTL1 (0.47) HDAC1HDAC6TP53HRH3MAPK1
SCHEMBL1081669 0.89 HDAC1 (0.50) HDAC1HDAC6TP53CYP46A1HRH3
SCHEMBL327042 0.89 TP53 (0.50) HDAC1HDAC6TP53OPRD1OPRK1
SCHEMBL22532823 0.89 TP53 (0.50) HDAC1HDAC6TP53MAPK1DPP4
SCHEMBL20129614 0.89 TP53 (0.50) HDAC1HDAC6TP53CYP46A1MAPK1
SCHEMBL14103789 0.89 VEGFA (0.53) HDAC1HDAC6TP53STSKMT2A
SCHEMBL8293418 0.88 OPRD1 (0.47) HDAC1HDAC6TP53MAPK1OPRD1
SCHEMBL4297578 0.88 NR1H2 (0.50) HDAC1HDAC6TP53MAPK1DPP4
SCHEMBL1876106 0.88 TP53 (0.49) HDAC1HDAC6TP53MAPK1POLB
SCHEMBL5283535 0.88 TP53 (0.49) HDAC1HDAC6TP53MAPK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4534897-A Piperazinone, piperazine, 1,4-diazepin-2-one and 1,4-diazepine intermediate compounds THE UPJOHN COMPANY (US) 1985-08-13 US claimed
US-20260098048-A1 IMPROVED PROCESS FOR THE PREPARATION OF RISDIPLAM AND ITS INTERMEDIATES NATCO PHARMA LTD (IN) 2026-04-09 US disclosed
WO-2025101892-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS AND USES THEREOF Astellas Engineered Small Molecules US, Incorporated (US) 2025-05-15 WO disclosed
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 EP disclosed
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
WO-2024069646-A1 IMPROVED PROCESS FOR THE PREPARATION OF RISDIPLAM AND ITS INTERMEDIATES NATCO PHARMA LIMITED (IN) 2024-04-04 WO disclosed
US-11660303-B2 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity KANCERA AB (SE) 2023-05-30 US disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 US disclosed
US-11447497-B2 (S)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases HISTOGEN, INC. (US) 2022-09-20 US disclosed
EP-1660447-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORP (US) 2008-07-30 EP disclosed
EP-1781644-B1 MACROCYCLIC BETA-SECRETASE INHIBITORS SCHERING CORP (US) 2008-05-28 EP disclosed
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 US disclosed
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 US disclosed
WO-2006014762-A1 SUBSTITUTED AMIDE BETA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-02-09 WO disclosed
WO-2006014944-A1 MACROCYCLIC BETA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-02-09 WO disclosed
WO-2005016876-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2005-02-24 WO disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 WO disclosed
US-5998415-A Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US disclosed
WO-1997016446-A1 BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-09 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-20260098048-A1 IMPROVED PROCESS FOR THE PREPARATION OF RISDIPLAM AND ITS INTERMEDIATES AOC1, ODC1, OTC HDAC1 2237/4885HDAC6 2320/4885TP53 2745/4885
US-12059420-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT HDAC1 145/4885HDAC6 227/4885TP53 1405/4885
US-11447497-B2 (S)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases CASP1, CASP3, CASP6 HDAC1 271/4885HDAC6 585/4885TP53 3045/4885
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds BRCA1, PDK2, PDK1 HDAC1 1776/4885HDAC6 2514/4885TP53 74/4885
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU HDAC1 38/4885HDAC6 31/4885TP53 2133/4885
US-11660303-B2 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity ROR1, RORB, RORA HDAC1 736/4885HDAC6 1040/4885TP53 3634/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC HDAC1 52/4885HDAC6 33/4885TP53 1911/4885

“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.