Secobarbital

Secobarbital

SCHEMBL41182

C=CCC1([C@@H](C)CCC)C(=O)NC(=O)NC1=O.[NaH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Secobarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRB3 known ✓ P28472 1/20 0.65
GABRA2 known ✓ P47869 1/20 0.65
GABRB2 known ✓ P47870 1/20 0.65
MMP9 P14780 1/20 0.97
CYP3A4 P08684 3/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
OPRD1 P41143 1/20 0.65
NR1I2 O75469 1/20 0.60
LMNA P02545 4/20 0.53
RECQL P46063 1/20 0.35
CYP19A1 P11511 1/20 0.30

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
Secobarbital SCHEMBL614906 1.00 MMP9 (0.97) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL7599361 1.00 MMP9 (0.97) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL80734 0.98 MMP9 (1.00) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL41181 0.98 MMP9 (1.00) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL80735 0.98 MMP9 (1.00) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL8085730 0.98 MMP9 (1.00) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL28198576 0.95 MMP9 (0.94) MMP9CYP3A4KDM4EALDH1A1GABRB3
Secobarbital SCHEMBL7778384 0.90 MMP9 (0.83) MMP9CYP3A4KDM4EALDH1A1GABRB3
Thiamylal SCHEMBL34747 0.89 MMP9 (0.77) MMP9CYP3A4KDM4EALDH1A1GABRB3
Thiamylal SCHEMBL548050 0.87 MMP9 (0.79) MMP9CYP3A4KDM4EALDH1A1GABRB3

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

Appears in 2048 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250271426-A1 REDUCTION OF BITTER TASTE OF ACTIVE PHARMACEUTICAL INGREDIENTS AND RELATED ASSAYS AND SCREENING METHODS FIRMENICH INCORPORATED (US) 2025-08-28 US claimed
EP-4493928-A1 REDUCTION OF BITTER TASTE OF ACTIVE PHARMACEUTICAL INGREDIENTS AND RELATED ASSAYS AND SCREENING METHODS Firmenich Incorporated (US) 2025-01-22 EP claimed
US-20230381195-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY (TBI) AND RELATED DISORDERS MEHRA AKHIL (US) 2023-11-30 US claimed
WO-2023205647-A1 REDUCTION OF BITTER TASTE OF ACTIVE PHARMACEUTICAL INGREDIENTS AND RELATED ASSAYS AND SCREENING METHODS FIRMENICH INCORPORATED (US) 2023-10-26 WO claimed
CN-116179496-A Hybridoma cell strain secreting anti-phenobarbital drug monoclonal multi-residue antibody and application thereof 江南大学 2023-05-30 CN claimed
US-20210228488-A1 EXTENDED RELEASE COMPOSITIONS AND PROCESS FOR PREPARATION RUBICON RES PRIVATE LIMITED (IN) 2021-07-29 US claimed
US-20210106592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF TRAUMATIC BRAIN INJURY (TBI) AND RELATED DISORDERS MEHRA AKHIL (US) 2021-04-15 US claimed
EP-2748000-B1 KIT COMPRISING A PACKAGING MATERIAL AND A SOLID PHARMACEUTICAL OR NUTRACEUTICAL PRODUCT CONTAINED IN THE PACKAGING MATERIAL SIEGFRIED LTD (CH) 2020-11-18 EP claimed
US-20200187851-A1 PERIODONTAL DISEASE STRATIFICATION AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-06-18 US claimed
CN-107478747-B The liquid chromatography-mass spectrography screening method of unknown poisonous substance in blood 山东省公安厅 2019-11-08 CN claimed
WO-2000001805-A1 CELLS AND ANIMALS DEFICIENT IN PROTEIN KINASE C EPSILON MESSING ROBERT O (US) 2000-01-13 WO claimed
EP-0935523-A4 EMBEDDING AND ENCAPSULATION OF CONTROLLED RELEASE PARTICLES GEN MILLS INC (US) 1999-12-29 EP claimed
EP-0935523-A1 EMBEDDING AND ENCAPSULATION OF CONTROLLED RELEASE PARTICLES GENERAL MILLS, INC. (US) 1999-08-18 EP claimed
WO-1998051282-A1 SOLID POROUS MATRICES AND METHODS OF MAKING AND USING THE SAME IMARX PHARMACEUTICAL CORP. (US) 1998-11-19 WO claimed
US-5811547-A Method for inducing crystalline state transition in medicinal substance NIPPON SHINYAJU CO., LTD. (JP) 1998-09-22 US claimed
US-5770222-A Therapeutic drug delivery systems IMARX PHARMACEUTICAL CORP. (US) 1998-06-23 US claimed
WO-1998018610-A1 EMBEDDING AND ENCAPSULATION OF CONTROLLED RELEASE PARTICLES LENGERICH BERNHARD H VAN (US) 1998-05-07 WO claimed
US-4466953-A Polymeric diffusion matrix KEY PHARMACEUTICALS, INC. (US) 1984-08-21 US claimed
US-4175119-A Composition and method to prevent accidental and intentional overdosage with psychoactive drugs PORTER GARRY L 1979-11-20 US claimed
US-3989823-A COMBATING SMOKING COSTANZO FRANCOIS DI 1976-11-02 US claimed