SCHEMBL2981376

SCHEMBL2981376

CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.73
GRIN2B Q13224 2/20 0.73
GRIN2D O15399 1/20 0.73
GRIN2A Q12879 1/20 0.73
GRIN2C Q14957 1/20 0.73
GABRP O00591 4/20 0.69
GABRD O14764 4/20 0.69
GABRA1 P14867 4/20 0.69
GABRB1 P18505 4/20 0.69
GABRG2 P18507 4/20 0.69
GABRB3 P28472 4/20 0.69
GABRA5 P31644 4/20 0.69
GABRA3 P34903 4/20 0.69
GABRA2 P47869 4/20 0.69
GABRB2 P47870 4/20 0.69
GABRA4 P48169 4/20 0.69
GABRE P78334 4/20 0.69
GABRA6 Q16445 4/20 0.69
GABRG1 Q8N1C3 4/20 0.69
GABRG3 Q99928 4/20 0.69

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
SCHEMBL7979058 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL12178039 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL16937805 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL643029 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2980777 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2589576 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL2981380 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19733059 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL22449551 1.00 GRIN1 (0.73) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL24022389 0.93 MAPK1 (0.64) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 US disclosed
US-20220162255-A1 PROCESS FOR PREPARING HIGH PURITY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF CURIA SPAIN, S.A.U. (ES) 2022-05-26 US disclosed
EP-3941925-A1 PROCESS FOR PREPARING HIGH PURITIY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF Crystal Pharma, S.A.U. (ES) 2022-01-26 EP disclosed
WO-2020187965-A1 PROCESS FOR PREPARING HIGH PURITIY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF BIONICE, S.L.U. (ES) 2020-09-24 WO disclosed
US-20200299323-A1 PROCESS FOR PREPARING HIGH PURITIY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF CURIA SPAIN, S.A.U. (ES) 2020-09-24 US disclosed
EP-3712161-A1 PROCESS FOR PREPARING HIGH PURITIY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF Bionice, S.L.U. (ES) 2020-09-23 EP disclosed
US-8759330-B2 Neuroactive 13,24-cyclo-18,21-dinorcholanes and structurally related pentacylic steroids WASHINGTON UNIVERSITY (US) 2014-06-24 US disclosed
US-20100317638-A1 Neuroactive 13,24-Cyclo-18,21-Dinorcholanes and Structurally Related Pentacylic Steroids WASHINGTON UNIVERSITY (US) 2010-12-16 US disclosed
US-7781421-B2 Neuroactive 13, 24-cyclo-18, 21-dinorcholanes and structurally related pentacyclic steriods WASHINGTON UNIVERSITY (US) 2010-08-24 US disclosed
EP-1626980-A4 NEUROACTIVE 13,24-CYCLO-18,21-DINORCHOLANES AND STRUCTURALLY-RELATED PENTACYCLIC STEROIDS UNIV WASHINGTON (US) 2007-07-04 EP disclosed
EP-1626980-A1 NEUROACTIVE 13,24-CYCLO-18,21-DINORCHOLANES AND STRUCTURALLY-RELATED PENTACYCLIC STEROIDS WASHINGTON UNIVERSITY (US) 2006-02-22 EP disclosed
WO-2005000869-A1 NEUROACTIVE 13,24-CYCLO-18,21-DINORCHOLANES AND STRUCTURALLY-RELATED PENTACYCLIC STEROIDS WASHINGTON UNIVERSITY (US) 2005-01-06 WO disclosed
US-20040242549-A1 Neuroactive 13, 24-cyclo-18, 21-dinorcholanes and structurally related pentacyclic steroids WASHINGTON UNIVERSITY 2004-12-02 US disclosed
EP-0554436-B1 GABA RECEPTOR MODULATORS EURO CELTIQUE SA (LU) 2000-07-05 EP disclosed
US-5591733-A TREATMENT OF ANXIETY, STRESS, INSOMNIA, SEIZURES, STEROIDS, ACTIVE AT GAMMA-AMINOBUTYRIC ACID RECEPTORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-01-07 US disclosed
EP-0554436-A4 1994-01-12 EP disclosed
EP-0554436-A1 GABA RECEPTOR MODULATORS COCENSYS, INC. (US) 1993-08-11 EP disclosed
US-5232917-A Tranquillizers; antianxiolytic agents; sedatives; antidepressants; anticonvulsants; neurotransmitters UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1993-08-03 US disclosed
WO-1993003732-A1 GABA RECEPTOR MODULATORS COCENSYS, INC. (US) 1993-03-04 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-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 GRIN1 2519/4885GRIN2B 2012/4885GRIN2D 3231/4885
US-20200299323-A1 PROCESS FOR PREPARING HIGH PURITIY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF CYP21A2, CYP17A1, CYP11B1 GRIN1 791/4885GRIN2B 621/4885GRIN2D 938/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 GRIN1 2519/4885GRIN2B 2012/4885GRIN2D 3231/4885
US-20100317638-A1 Neuroactive 13,24-Cyclo-18,21-Dinorcholanes and Structurally Related Pentacylic Steroids HSD17B13, GABRD, HSD17B3 GRIN1 124/4885GRIN2B 111/4885GRIN2D 140/4885
US-20220162255-A1 PROCESS FOR PREPARING HIGH PURITY ALLOPREGNANOLONE AND INTERMEDIATES THEREOF CYP17A1, CYP21A2, CYP11B1 GRIN1 748/4885GRIN2B 646/4885GRIN2D 875/4885
US-20040242549-A1 Neuroactive 13, 24-cyclo-18, 21-dinorcholanes and structurally related pentacyclic steroids HSD17B13, GABRD, HSD17B3 GRIN1 127/4885GRIN2B 112/4885GRIN2D 143/4885

“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.