SCHEMBL782131

SCHEMBL782131

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 1.00
GRIN2B Q13224 11/20 1.00
GRIN2D O15399 2/20 1.00
GRIN2A Q12879 2/20 1.00
GRIN2C Q14957 2/20 1.00
GABRP O00591 2/20 0.65
GABRD O14764 2/20 0.65
G6PD P11413 2/20 0.65
GABRA1 P14867 2/20 0.65
GABRB1 P18505 2/20 0.65
GABRG2 P18507 2/20 0.65
GABRB3 P28472 2/20 0.65
GABRA5 P31644 2/20 0.65
GABRA3 P34903 2/20 0.65
GABRA2 P47869 2/20 0.65
GABRB2 P47870 2/20 0.65
GABRA4 P48169 2/20 0.65
GABRE P78334 2/20 0.65
GABRA6 Q16445 2/20 0.65
GABRG1 Q8N1C3 2/20 0.65

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
SCHEMBL783064 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL6377561 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19281748 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL782132 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL4191973 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL24703701 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL4198024 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL8075513 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL783063 0.92 GRIN1 (0.85) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL17544405 0.90 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123935-A2 TREATMENT OR PREVENTION OF DEPRESSIVE DISORDERS THROUGH COMBINATION THERAPY FREEDOM BIOSCIENCES, INC. (US) 2024-06-13 WO claimed
US-20230296622-A1 COMPOSITIONS AND METHODS OF PREDICTING TIME TO ONSET OF LABOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-21 US claimed
US-11752115-B2 PPAR-alpha agonist treatment of neuropsychiatric disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-09-12 US claimed
EP-4196601-A1 COMPOSITIONS AND METHODS OF PREDICTING TIME TO ONSET OF LABOR The Board of Trustees of the Leland Stanford Junior University (US) 2023-06-21 EP claimed
WO-2023023038-A1 TREATMENT COMPOSITIONS AND METHODS YALE UNIVERSITY (US) 2023-02-23 WO claimed
WO-2022040187-A9 COMPOSITIONS AND METHODS OF PREDICTING TIME TO ONSET OF LABOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-05-19 WO claimed
WO-2022040187-A1 COMPOSITIONS AND METHODS OF PREDICTING TIME TO ONSET OF LABOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-02-24 WO claimed
US-20180340005-A1 Conjugated Neuroactive Steroid Compositions And Methods Of Use DUKE UNIVERSITY 2018-11-29 US claimed
WO-2011120044-A1 CONJUGATED NEUROACTIVE STEROID COMPOSITIONS AND METHODS OF USE DUKE UNIVERSITY (US) 2011-09-29 WO 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-20250032510-A1 AMORPHOUS SOLID DISPERSION GANAXOLONE FORMULATION IMMEDICA PHARMA US INC. 2025-01-30 US disclosed
US-20240197754-A1 ANTICONVULSANT ACTIVITY OF STEROIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-06-20 US disclosed
WO-2024123935-A2 TREATMENT OR PREVENTION OF DEPRESSIVE DISORDERS THROUGH COMBINATION THERAPY FREEDOM BIOSCIENCES, INC. (US) 2024-06-13 WO disclosed
US-11980625-B2 Ganaxolone for use in treating tuberous sclerosis complex MARINUS PHARMACEUTICALS, INC. (US) 2024-05-14 US disclosed
US-20240100067-A1 GANAXOLONE FOR USE IN TREATING TUBEROUS SCLEROSIS COMPLEX IMMEDICA PHARMA US INC. 2024-03-28 US disclosed
WO-2001016601-A1 EFFECT OF STEROIDS ON NMDA RECEPTORS DEPENDS ON SUBUNIT COMPOSITION TRUSTEES OF BOSTON UNIVERSITY (US) 2001-03-08 WO disclosed
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 disclosed
US-5888996-A ANTICONVULSANTS TRUSTEES OF BOSTON UNIVERSITY (US) 1999-03-30 US disclosed
EP-0840612-A1 INHIBITION OF NMDA RECEPTOR ACTIVITY BY PREGNENOLONE SULFATE DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 1998-05-13 EP disclosed
WO-1997003677-A1 INHIBITION OF NMDA RECEPTOR ACTIVITY BY PREGNENOLONE SULFATE DERIVATIVES TRUSTEES OF BOSTON UNIVERSITY (US) 1997-02-06 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 (5 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-20240197754-A1 ANTICONVULSANT ACTIVITY OF STEROIDS CYP21A2, HSD3B1, HSD17B2 GRIN1 40/4885GRIN2B 56/4885GRIN2D 111/4885
US-20240100067-A1 GANAXOLONE FOR USE IN TREATING TUBEROUS SCLEROSIS COMPLEX CYP17A1, HSD17B7, HSD17B11 GRIN1 208/4885GRIN2B 270/4885GRIN2D 1276/4885
US-20180340005-A1 Conjugated Neuroactive Steroid Compositions And Methods Of Use SHBG, TACR2, GAP43 GRIN1 125/4885GRIN2B 83/4885GRIN2D 173/4885
US-11980625-B2 Ganaxolone for use in treating tuberous sclerosis complex CYP17A1, HSD17B7, HSD17B11 GRIN1 208/4885GRIN2B 270/4885GRIN2D 1276/4885
US-20250032510-A1 AMORPHOUS SOLID DISPERSION GANAXOLONE FORMULATION PYGB, GYS2, CYP21A2 GRIN1 333/4885GRIN2B 157/4885GRIN2D 58/4885

“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.