SCHEMBL16190893

SCHEMBL16190893

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.62
GABRB2 P47870 20/20 0.62
GABRD O14764 19/20 0.62
GABRA4 P48169 19/20 0.62
GABRP O00591 18/20 0.62
GABRB1 P18505 18/20 0.62
GABRG2 P18507 18/20 0.62
GABRB3 P28472 18/20 0.62
GABRA5 P31644 18/20 0.62
GABRA3 P34903 18/20 0.62
GABRA2 P47869 18/20 0.62
GABRE P78334 18/20 0.62
GABRA6 Q16445 18/20 0.62
GABRG1 Q8N1C3 18/20 0.62
GABRG3 Q99928 18/20 0.62
GABRQ Q9UN88 18/20 0.62

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
SCHEMBL21618945 1.00 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL28899592 0.92 GABRA1 (0.56) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL29904114 0.92 GABRA1 (0.56) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL28461274 0.92 GABRA1 (0.56) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22727106 0.89 GABRA1 (0.60) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22782935 0.89 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL21134625 0.89 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL19655748 0.89 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL31602927 0.89 GABRA1 (0.55) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL19655746 0.89 GABRA1 (0.62) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022115381-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS CROSS REFERENCE TO RELATED APPLICATION SAGE THERAPEUTICS, ONC. (US) 2022-06-02 WO 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
EP-3224269-B1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS INC (US) 2020-02-26 EP disclosed
US-20180141971-A1 19-NOR C3, 3-DISUBSTITUTED C21-C-BOUND HETEROARYL STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2018-05-24 US disclosed
US-20180051052-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2018-02-22 US disclosed
US-20170342102-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2017-11-30 US disclosed
US-20170342102-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2017-11-30 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-20180051052-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, NR3C1 GABRA1 38/4885GABRB2 63/4885GABRD 100/4885
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B GABRA1 13/4885GABRB2 8/4885GABRD 127/4885
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-20180141971-A1 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
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 GABRA1 42/4885GABRB2 53/4885GABRD 83/4885
US-20170342102-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B GABRA1 13/4885GABRB2 8/4885GABRD 127/4885

“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.