Alfaxalone

Alfaxalone

SCHEMBL350372

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 1.00
GABRB2 P47870 6/20 1.00
G6PD P11413 5/20 1.00
CYP3A4 P08684 4/20 1.00
GABRG2 P18507 4/20 1.00
GABRB3 P28472 4/20 1.00
CYP2C9 P11712 3/20 1.00
GABRA2 P47869 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
GLA P06280 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
GABRP O00591 2/20 0.70
GABRD O14764 2/20 0.70
GABRB1 P18505 2/20 0.70
GABRA5 P31644 2/20 0.70
GABRA3 P34903 2/20 0.70
GABRA4 P48169 2/20 0.70
GABRE P78334 2/20 0.70
GABRA6 Q16445 2/20 0.70

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
Alfaxalone SCHEMBL644125 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL643098 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL21614070 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL24766358 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL21614107 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL24675016 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL21614053 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL24765814 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL21614074 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2
Alfaxalone SCHEMBL9809348 1.00 GABRA1 (1.00) GABRA1GABRB2G6PDCYP3A4GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355157-A1 NEUROACTIVE STEROIDS AND METHODS OF PREPARATION DRAWBRIDGE PHARMACEUTICALS PTY LTD (AU) 2021-11-18 US claimed
EP-1458399-B1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2012-08-08 EP claimed
US-7960367-B2 Pregnane steroids and their use in the treatment of CNS disorders UMECRINE AB (SE) 2011-06-14 US claimed
EP-2275109-A2 Pregnane steroids for use in the treatment of CNS disorders Umecrine AB (SE) 2011-01-19 EP claimed
EP-1829527-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP claimed
EP-1829528-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP claimed
EP-1815846-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP claimed
EP-1815847-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP claimed
WO-2007025064-A2 METHODS OF USING SELECTIVE llβ-HSD INHIBITORS TO TREAT GLUOCORTICOID ASSOCIATED STATES THE MIRIAM HOSPITAL (US) 2007-03-01 WO claimed
US-20050222099-A1 Pregnane steroids for use in the treatment of cns disorders UMECRINE AB (SE) 2005-10-06 US claimed
EP-1458399-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS Umecrine AB (SE) 2004-09-22 EP claimed
US-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2004-06-03 US claimed
WO-2003059357-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2003-07-24 WO claimed
EP-0659072-B1 PHARMACEUTICAL EMULSIONS CONTAINING BIOACTIVE STEROIDS PHARMACIA AB (SE) 2001-11-07 EP claimed
US-6083941-A TREATMENT OF NEUROPATHIC PAIN, DRUG WITHDRAWAL/DEPENDENCY, EPILEPSY, GLAUCOMA, CHRONIC NEURODEGENERATIVE DISEASES, AMYOTROPHIC LATERAL SCLEROSIS, ANXIETY DISORDERS, BRAIN CELL DEATH, ISCHAEMIA, STROKE, TRAUMA TRUSTEES OF BOSTON UNIVERSITY (US) 2000-07-04 US claimed
US-5869068-A AGONIST SUBSTANCE OF ONE OR A NUMBER OF RECEPTORS ASSOCIATED WITH A CHLORINE CHANNEL ARE USEFUL FOR SLACKENING AND/OR RELAXING CUTANEOUS TISSUE, AND IN PARTICULAR FOR THE PURPOSE OF TREATING WRINKLES AND FINE LINES OF THE SKIN. L'OREAL (FR) 1999-02-09 US claimed
WO-1993017711-A1 NEW CYCLODEXTRINS AND NEW FORMULATED DRUGS AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1993-09-16 WO claimed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP claimed
US-11975073-B2 Lipid prodrugs of neurosteroids PURETECH LYT, INC. (US) 2024-05-07 US disclosed
US-4192871-A ANAESTHETICS - STEROIDS GLAXO LABORATORIES LIMITED (GB) 1980-03-11 US 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 (3 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-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CUTA, ABCG2, PIGS GABRA1 3686/4885GABRB2 3280/4885G6PD 3960/4885
US-20210355157-A1 NEUROACTIVE STEROIDS AND METHODS OF PREPARATION GAP43, CHRNB4, ADRA2C GABRA1 63/4885GABRB2 100/4885G6PD 3145/4885
US-11975073-B2 Lipid prodrugs of neurosteroids CYP21A2, CYP46A1, CYP17A1 GABRA1 2097/4885GABRB2 2004/4885G6PD 1035/4885

“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.