SCHEMBL20087750

SCHEMBL20087750

O[C@@H](CSc1ccc2ccccc2c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
BACE1 P56817 8/20 0.46
MAPT P10636 1/20 0.45
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ANPEP P15144 1/20 0.43
EPHX1 P07099 2/20 0.43
METAP2 P50579 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL20087747 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1MAPT
SCHEMBL2951287 0.83 NPC1 (0.53) MAPT
SCHEMBL14461607 0.71 CYP3A4 (0.42) SLC6A3BACE1MAPTCYP3A4CYP2C9
SCHEMBL7306558 0.71 CYP3A4 (0.45) SLC6A2SLC6A4SLC6A3BACE1MAPT
SCHEMBL27611903 0.70 BACE1 (0.58) BACE1CYP3A4CYP2C9CYP2C19ANPEP
SCHEMBL20088011 0.70 BACE1 (0.58) BACE1CYP3A4CYP2C9CYP2C19ANPEP
SCHEMBL26326658 0.70 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MAPTGABBR2
SCHEMBL5360150 0.69 BACE1 (0.62) BACE1CYP3A4CYP2C9CYP2C19ANPEP
Ammonia Solution, Strong SCHEMBL7243545 0.67 CYP3A4 (0.49) BACE1CYP3A4CYP2C9CYP2C19ANPEP
SCHEMBL22288286 0.67 MAOA (0.53) SLC6A2SLC6A4SLC6A3MAPTGABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252848-A2 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2023-10-04 EP disclosed
EP-3529257-B1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 EP disclosed
US-20210380631-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2021-12-09 US disclosed
US-11149054-B2 Oxysterols and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2021-10-19 US disclosed
US-20190248829-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2019-08-15 US disclosed
WO-2018075699-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2018-04-26 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 (3 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-20210380631-A1 OXYSTEROLS AND METHODS OF USE THEREOF NR1H3, NR1H2, HSD17B7 SLC6A2 1463/4885SLC6A4 1718/4885SLC6A3 1881/4885
US-20190248829-A1 OXYSTEROLS AND METHODS OF USE THEREOF NR1H3, NR1H2, HSD17B7 SLC6A2 1384/4885SLC6A4 1639/4885SLC6A3 1827/4885
US-11149054-B2 Oxysterols and methods of use thereof NR1H3, NR1H2, HSD17B7 SLC6A2 1384/4885SLC6A4 1639/4885SLC6A3 1827/4885

“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.