SCHEMBL566550

SCHEMBL566550

CC(C)(C)OC(=O)N1Cc2ccc(C#N)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
HDAC1 Q13547 1/20 0.53
NR1H2 P55055 1/20 0.52
NAMPT P43490 9/20 0.52
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
GPR119 Q8TDV5 3/20 0.48
DRD2 P14416 1/20 0.47
MAPK1 P28482 1/20 0.46
RIPK1 Q13546 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
SCHEMBL30548176 0.90 ESR2 (0.69) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL2416879 0.90 NR1H2 (0.67) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL451998 0.90 ESR2 (0.69) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL29586616 0.90 NR1H2 (0.67) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL24265587 0.87 NR1H2 (0.58) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL2995065 0.87 ESR2 (0.59) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL30548188 0.87 NR1H2 (0.58) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL24215797 0.86 ESR2 (0.53) ESR2HDAC1NR1H2NAMPTDDB1
SCHEMBL2123156 0.84 ESR2 (0.57) ESR2NR1H2GPR119DRD2
SCHEMBL7675148 0.82 NR1H2 (0.50) ESR2HDAC1NR1H2NAMPTDDB1

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-4678644-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Yidi Biotechnology Co., Ltd. (CN) 2026-01-14 EP disclosed
WO-2025021182-A1 CYP11A1 INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-01-30 WO disclosed
WO-2023116835-A1 MULTI-PROTEIN DEGRADATION AGENT HAVING IMIDE SKELETON 苏州开拓药业股份有限公司 2023-06-29 WO disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
EP-4149924-A1 CYP11A1 INHIBITORS Orion Corporation (FI) 2023-03-22 EP disclosed
CN-115551831-A CYP11A1 inhibitor 奥赖恩公司 2022-12-30 CN disclosed
WO-2021229152-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2021-11-18 WO disclosed
WO-2021218755-A1 SHP2 INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 (CN) 2021-11-04 WO disclosed
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1119562-B1 2,3-DIHYDRO-1H-ISOINDOLE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
US-20030158222-A1 2-3-dihydro-1H-isoindole derivatives useful as modulators of dopamine D3 receptors (an-tipsychotic agents) SMITHKLINE BEECHAM P.L.C. 2003-08-21 US disclosed
US-6521638-B1 Such as 2-(2-(1-(4-(3-(3-methanesulfonyl)phenylpropenoyl)-amino)cyclohexyl)ethyl) -2,3-dihydro-1H-isoindole; amidation of amine and carbonyl halide SMITHKLINE BEECHAM P.L.C. (DE) 2003-02-18 US disclosed
EP-1119562-A1 2,3-DIHYDRO-1H-ISOINDOLE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
WO-2000021950-A1 2,3-DIHYDRO-1H-ISOINDOLE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-20 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 ESR2 1745/4885HDAC1 79/4885NR1H2 992/4885
US-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 ESR2 118/4885HDAC1 802/4885NR1H2 75/4885
US-20030158222-A1 2-3-dihydro-1H-isoindole derivatives useful as modulators of dopamine D3 receptors (an-tipsychotic agents) OPRD1, DRD3, OPRM1 ESR2 585/4885HDAC1 1709/4885NR1H2 74/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A ESR2 3116/4885HDAC1 43/4885NR1H2 216/4885

“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.