SCHEMBL14770959

SCHEMBL14770959

CC(CCCO)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 6/20 1.00
▸ GRIN2A Q12879 6/20 1.00
▸ OSBP P22059 6/20 0.85
▸ RORC P51449 5/20 0.85
▸ OSBP2 Q969R2 3/20 0.85
▸ USP2 O75604 1/20 0.85
▸ LMNA P02545 1/20 0.85
▸ ABCB1 P08183 1/20 0.85
▸ CYP46A1 Q9Y6A2 1/20 0.85
▸ NR1H3 Q13133 7/20 0.84
▸ DHCR24 Q15392 1/20 0.81
▸ CRYAB P02511 1/20 0.80
▸ HMGCR P04035 1/20 0.80
▸ ITGB3 P05106 1/20 0.80
▸ ITGAV P06756 1/20 0.80
▸ SREBF2 Q12772 1/20 0.80
▸ NPC1L1 Q9UHC9 1/20 0.80
▸ GRIN2B Q13224 5/20 0.80
▸ EPHA2 P29317 1/20 0.75
▸ NR1H2 P55055 1/20 0.74

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
SCHEMBL14771078 1.00 GRIN1 (1.00) GRIN1GRIN2AOSBPRORCOSBP2
SCHEMBL17467018 1.00 GRIN1 (1.00) GRIN1GRIN2AOSBPRORCOSBP2
SCHEMBL23385098 0.96 GRIN1 (0.92) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL27935905 0.93 OSBP (0.91) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL21681224 0.93 OSBP (0.94) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL454869 0.93 OSBP (0.94) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL454868 0.93 OSBP (0.94) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL28238054 0.93 OSBP (0.89) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL21632297 0.93 OSBP (0.89) GRIN1GRIN2AOSBPRORCOSBP2
Cholesterol SCHEMBL23365796 0.92 OSBP (1.00) GRIN1GRIN2AOSBPRORCOSBP2

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-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 — — US disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 — — US disclosed
WO-2023114224-A1 COMBINATION OF MUSCARINIC RECEPTOR POSITIVE MODULATORS AND NMDA POSITIVE ALLOSTERIC MODULATORS SAGE THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 — — US disclosed
WO-2022261510-A1 NEUROACTIVE STEROID FOR THE TREATMENT OF ALZHEIMER'S DISEASE SAGE THERAPEUTICS, INC. (US) 2022-12-15 — — WO 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
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2020-09-01 — — 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
WO-2016057713-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-14 — — WO 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
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 (7 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-20210147470-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R GRIN1 196/4885GRIN2A 90/4885OSBP 2286/4885
US-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CYP21A2, CYP24A1, HSD17B2 GRIN1 518/4885GRIN2A 155/4885OSBP 795/4885
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof CHRNB4, CHRNB3, MC2R GRIN1 196/4885GRIN2A 90/4885OSBP 2286/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R GRIN1 199/4885GRIN2A 96/4885OSBP 2310/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R GRIN1 199/4885GRIN2A 96/4885OSBP 2310/4885
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 GRIN1 3/4885GRIN2A 2/4885OSBP 47/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 GRIN1 3/4885GRIN2A 2/4885OSBP 47/4885

“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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