SCHEMBL22719457

SCHEMBL22719457

N#CC1(Cc2c(F)cc(C(F)(F)F)cc2F)CCN(C(=O)c2cccnc2-c2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.53
▸ CYP2C9 P11712 7/20 0.53
▸ CYP46A1 Q9Y6A2 6/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ USP2 O75604 7/20 0.40
▸ TSHR P16473 5/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL29453789 1.00 CYP3A4 (0.53) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL29453694 0.91 CYP46A1 (0.56) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL22719307 0.91 CYP46A1 (0.56) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL22719245 0.91 CYP46A1 (0.51) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL29453676 0.91 CYP46A1 (0.51) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL22719474 0.90 CYP46A1 (0.57) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL29453716 0.90 CYP46A1 (0.57) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL22719129 0.89 CYP46A1 (0.51) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL22719329 0.89 CYP46A1 (0.55) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8
SCHEMBL29453737 0.89 CYP46A1 (0.51) CYP3A4CYP2C9CYP46A1CYP2C19CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261510-A1 NEUROACTIVE STEROID FOR THE TREATMENT OF ALZHEIMER'S DISEASE SAGE THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 — — US disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 — — WO disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 — — 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 (1 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-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 CYP3A4 35/4885CYP2C9 38/4885CYP46A1 1/4885

“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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