SCHEMBL22446752

SCHEMBL22446752

C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 8/20 0.76
▸ GRIN2A Q12879 7/20 0.76
▸ GRIN2B Q13224 7/20 0.76
▸ NR1H3 Q13133 5/20 0.69
▸ OSBP P22059 4/20 0.69
▸ RORC P51449 4/20 0.69
▸ OSBP2 Q969R2 3/20 0.69
▸ CRYAB P02511 1/20 0.69
▸ HMGCR P04035 1/20 0.69
▸ ITGB3 P05106 1/20 0.69
▸ ITGAV P06756 1/20 0.69
▸ SREBF2 Q12772 1/20 0.69
▸ NPC1L1 Q9UHC9 1/20 0.69
▸ PTPN1 P18031 2/20 0.60
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ CYP46A1 Q9Y6A2 1/20 0.57
▸ DHCR24 Q15392 1/20 0.56
▸ EPHA2 P29317 1/20 0.55

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
SCHEMBL24085650 1.00 GRIN1 (0.76) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL8336467 0.88 RORC (0.74) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL6391972 0.88 RORC (0.74) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL6387555 0.88 RORC (0.74) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL6387062 0.88 RORC (0.74) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL8336472 0.88 RORC (0.74) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL6388729 0.88 RORC (0.74) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL14770941 0.87 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL14771158 0.87 GRIN1 (1.00) GRIN1GRIN2AGRIN2BNR1H3OSBP
SCHEMBL19506256 0.87 GRIN1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114224-A1 COMBINATION OF MUSCARINIC RECEPTOR POSITIVE MODULATORS AND NMDA POSITIVE ALLOSTERIC MODULATORS SAGE THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
EP-3919502-A1 11-SUBSTITUTED 24-HYDROXYSTEROLS FOR USE IN THE TREATMENT OF NMDA RELATED CONDITIONS Sage Therapeutics, Inc. (US) 2021-12-08 — — EP disclosed
US-20210147468-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2021-05-20 — — US disclosed
EP-3481846-B1 11-SUBSTITUTED 24-HYDROXYSTEROLS FOR USE IN THE TREATMENT OF NMDA RELATED CONDITIONS SAGE THERAPEUTICS INC (US) 2021-05-12 — — EP disclosed
US-10781231-B2 Oxysterols and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2020-09-22 — — US 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 (2 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-10781231-B2 Oxysterols and methods of use thereof HSD3B1, CYP17A1, HSD17B7 GRIN1 1672/4885GRIN2A 2309/4885GRIN2B 1699/4885
US-20210147468-A1 OXYSTEROLS AND METHODS OF USE THEREOF HSD3B1, CYP17A1, HSD17B7 GRIN1 1673/4885GRIN2A 2346/4885GRIN2B 1716/4885

“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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