SCHEMBL4191973

SCHEMBL4191973

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
SCHEMBL782131 1.00 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL782132 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
EP-1212618-B1 EFFECT OF STEROIDS ON NMDA RECEPTORS DEPENDS ON SUBUNIT COMPOSITION UNIV BOSTON (US) 2009-03-11 EP disclosed
US-20040204490-A1 Effect of steroids on NMDA receptors depends on subunit composition TRUSTEES OF BOSTON UNIVERSITY 2004-10-14 US disclosed
US-6623933-B1 Contacting with neurotransmitter recognition site ligand in the presence and absence of a steroid-based molecule; chimeric isoform; use in treating neurological disorders including ischemic stroke, epilepsy and schizophrenia TRUSTEES OF BOSTON UNIVERSITY 2003-09-23 US 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 (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-20040204490-A1 Effect of steroids on NMDA receptors depends on subunit composition GRIN3B, GRIN1, GRIN3A GRIN1 2/4885GRIN2B 6/4885GRIN2D 23/4885
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 GRIN1 3/4885GRIN2B 5/4885GRIN2D 16/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 GRIN1 3/4885GRIN2B 5/4885GRIN2D 16/4885

“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.