SCHEMBL613074

SCHEMBL613074

CC(C)(C)OC(=O)N1CCC[C@@H]1COS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
HCRTR2 O43614 1/20 0.43
APP P05067 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
PSEN1 P49768 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL428028 1.00 HSD17B10 (0.44) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL426040 1.00 HSD17B10 (0.44) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL7106146 0.96 PDE8B (0.43) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL1193279 0.96 PDE8B (0.43) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL489371 0.91 NR1H2 (0.39) HSD17B10HCRTR2ATM
SCHEMBL489369 0.91 NR1H2 (0.39) HSD17B10HCRTR2ATM
SCHEMBL1799021 0.91 NR1H2 (0.39) HSD17B10HCRTR2ATM
SCHEMBL12431650 0.89 HSD17B10 (0.42) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL3130359 0.89 ATM (0.45) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL16538591 0.89 ATM (0.45) HSD17B10HCRTR2APPHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025226861-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2025-10-30 WO disclosed
EP-4581018-A1 INDAZOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Mindset Pharma Inc. (CA) 2025-07-09 EP disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
US-20240376090-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERED RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2024-11-14 US disclosed
WO-2024044848-A1 INDAZOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2024-03-07 WO disclosed
US-20240051951-A1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-02-15 US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230286965-A1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-09-14 US disclosed
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO disclosed
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 US disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1140074-A1 INDOLE AND INDOLIZIDINE DERIVATIVES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2001-10-10 EP disclosed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000038677-A1 INDOLE AND INDOLIZIDINE DERIVATIVES FOR THE TREATMENT OF MIGRAINE ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-07-06 WO disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 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 (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-20240376090-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERED RELATED THERETO HTR2A, HTR5A, HTR1A HSD17B10 846/4885HCRTR2 57/4885APP 3734/4885
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HSD17B10 733/4885HCRTR2 47/4885APP 1086/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 HSD17B10 3627/4885HCRTR2 3679/4885APP 2630/4885
US-20240051951-A1 BICYCLIC COMPOUND AND USE THEREOF PRMT5, PRMT6, PRMT1 HSD17B10 2774/4885HCRTR2 3636/4885APP 2625/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 HSD17B10 3627/4885HCRTR2 3679/4885APP 2630/4885
US-20230286965-A1 BICYCLIC COMPOUND AND USE THEREOF PRMT5, PRMT6, PRMT8 HSD17B10 2934/4885HCRTR2 3885/4885APP 2610/4885

“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.