SCHEMBL14770941

SCHEMBL14770941

C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](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 8/20 1.00
▸ GRIN2A Q12879 7/20 1.00
▸ GRIN2B Q13224 7/20 1.00
▸ NR1H3 Q13133 5/20 0.91
▸ OSBP P22059 4/20 0.91
▸ RORC P51449 4/20 0.91
▸ OSBP2 Q969R2 3/20 0.91
▸ CRYAB P02511 1/20 0.91
▸ HMGCR P04035 1/20 0.91
▸ ITGB3 P05106 1/20 0.91
▸ ITGAV P06756 1/20 0.91
▸ SREBF2 Q12772 1/20 0.91
▸ NPC1L1 Q9UHC9 1/20 0.91
▸ PTPN1 P18031 2/20 0.78
▸ USP2 O75604 1/20 0.75
▸ LMNA P02545 1/20 0.75
▸ ABCB1 P08183 1/20 0.75
▸ CYP46A1 Q9Y6A2 1/20 0.75
▸ DHCR24 Q15392 1/20 0.74
▸ EPHA2 P29317 1/20 0.73

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
SCHEMBL14771158 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL16139847 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL16139954 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL25703762 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL19506256 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL16786297 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL19506552 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL25035613 0.95 OSBP (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL12224955 0.95 OSBP (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL22559541 0.95 OSBP (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4245369-A2 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, Inc. (US) 2023-09-20 — — EP disclosed
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 — — US disclosed
EP-2753632-B1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 — — EP disclosed
EP-3932932-A1 NEUROACTIVE STERIODS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2022-01-05 — — EP disclosed
EP-3865135-A2 NEUROACTIVE STEROIDS FOR USE IN THERAPY Sage Therapeutics, Inc. (US) 2021-08-18 — — EP disclosed
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2021-05-20 — — US disclosed
EP-3461834-B1 NEUROACTIVE STEROIDS SAGE THERAPEUTICS INC (US) 2021-05-19 — — EP disclosed
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2020-09-01 — — US disclosed
US-20190127414-A1 NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2019-05-02 — — US disclosed
EP-3461834-A1 NEUROACTIVE STEROIDS Sage Therapeutics, Inc. (US) 2019-04-03 — — EP disclosed
US-10227375-B2 Neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2019-03-12 — — US disclosed
US-20170305960-A1 NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2017-10-26 — — US disclosed
US-20160031930-A1 NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-02-04 — — US disclosed
US-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2016-01-28 — — US disclosed
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-06-11 — — US disclosed
WO-2014160441-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-02 — — WO disclosed
WO-2013036835-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2013-03-14 — — 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 (9 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-20190127414-A1 NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF AVPR1B, MC2R, NPSR1 GRIN1 121/4885GRIN2A 32/4885GRIN2B 16/4885
US-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R GRIN1 196/4885GRIN2A 90/4885GRIN2B 52/4885
US-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CYP21A2, CYP24A1, HSD17B2 GRIN1 518/4885GRIN2A 155/4885GRIN2B 169/4885
US-20160031930-A1 NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF CYP21A2, CYP17A1, HSD17B7 GRIN1 96/4885GRIN2A 49/4885GRIN2B 26/4885
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof CHRNB4, CHRNB3, MC2R GRIN1 196/4885GRIN2A 90/4885GRIN2B 52/4885
US-20170305960-A1 NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF AVPR1B, MC2R, NPSR1 GRIN1 121/4885GRIN2A 32/4885GRIN2B 16/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R GRIN1 199/4885GRIN2A 96/4885GRIN2B 50/4885
US-10227375-B2 Neuroactive steroids and methods of use thereof AVPR1B, MC2R, NPSR1 GRIN1 121/4885GRIN2A 32/4885GRIN2B 16/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R GRIN1 199/4885GRIN2A 96/4885GRIN2B 50/4885

“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.

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