SCHEMBL16190892

SCHEMBL16190892

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

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.81
GABRB2 P47870 20/20 0.81
GABRD O14764 19/20 0.81
GABRA4 P48169 19/20 0.81
GABRP O00591 18/20 0.81
GABRB1 P18505 18/20 0.81
GABRG2 P18507 18/20 0.81
GABRB3 P28472 18/20 0.81
GABRA5 P31644 18/20 0.81
GABRA3 P34903 18/20 0.81
GABRA2 P47869 18/20 0.81
GABRE P78334 18/20 0.81
GABRA6 Q16445 18/20 0.81
GABRG1 Q8N1C3 18/20 0.81
GABRG3 Q99928 18/20 0.81
GABRQ Q9UN88 18/20 0.81

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
SCHEMBL22516226 1.00 GABRA1 (0.81) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL17792263 1.00 GABRA1 (0.81) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL26060827 0.92 GABRA1 (0.69) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL23346583 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL21091386 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL14871146 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL23344276 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL23468933 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL19650972 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL3124023 0.89 GABRP (1.00) GABRA1GABRB2GABRDGABRA4GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898646-B1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS LLC (US) 2026-02-18 EP disclosed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
EP-3481845-B1 C17, C20, AND C21 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS INC (US) 2023-09-13 EP disclosed
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20220372067-A1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2022-11-24 US disclosed
US-11396525-B2 C17, C20, and C21 substituted neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2022-07-26 US disclosed
US-11344563-B2 19-nor C3, 3-disubstituted C21-C-bound heteroaryl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2022-05-31 US disclosed
US-20210017218-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS INC (US) 2021-01-21 US disclosed
US-10774108-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-9725481-B2 19-nor C3, 3-disubstituted C21-C-bound heteroaryl steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2017-08-08 US disclosed
US-9365611-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-06-14 US disclosed
US-9365611-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-06-14 US disclosed
WO-2016082789-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2016-06-02 WO disclosed
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-24 US disclosed
US-20160083417-A1 19-NOR C3, 3-DISUBSTITUTED C21-C-BOUND HETEROARYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-24 US disclosed
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-24 US disclosed
WO-2014169832-A9 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-03 WO disclosed
WO-2014169831-A1 19-NOR C3,3-DISUBSTITUTED C21-C-BOUND HETEROARYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 WO disclosed
WO-2014169832-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-23 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 (8 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-20220372067-A1 3.ALPHA.-HYDROXY-17.BETA.-AMIDE NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF HSD17B7, HSD3B1, HSD17B3 GABRA1 334/4885GABRB2 253/4885GABRD 700/4885
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B GABRA1 13/4885GABRB2 8/4885GABRD 127/4885
US-11396525-B2 C17, C20, and C21 substituted neuroactive steroids and their methods of use CNR1, CNR2, GABRA1 GABRA1 3/4885GABRB2 24/4885GABRD 34/4885
US-20160083417-A1 19-NOR C3, 3-DISUBSTITUTED C21-C-BOUND HETEROARYL STEROIDS AND METHODS OF USE THEREOF CYP11B1, HSD3B1, NR3C2 GABRA1 62/4885GABRB2 83/4885GABRD 295/4885
US-20210017218-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B GABRA1 13/4885GABRB2 8/4885GABRD 127/4885
US-10774108-B2 Compositions and methods for treating CNS disorders GRIN2B, ADRA2B, ADRA1B GABRA1 13/4885GABRB2 8/4885GABRD 127/4885
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 GABRA1 42/4885GABRB2 53/4885GABRD 83/4885
US-11344563-B2 19-nor C3, 3-disubstituted C21-C-bound heteroaryl steroids and methods of use thereof CYP11B1, NR3C2, HSD3B1 GABRA1 61/4885GABRB2 80/4885GABRD 296/4885

“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.