SCHEMBL22719456

SCHEMBL22719456

N#CC1(Cc2cc(C(F)(F)F)ccc2F)CCN(C(=O)c2cccnc2-c2ccncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 6/20 0.53
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ ABL1 P00519 3/20 0.36
▸ BCR P11274 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL29453672 1.00 CYP46A1 (0.53) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL29453730 0.94 CYP46A1 (0.53) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22719220 0.94 CYP46A1 (0.53) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22719375 0.90 CYP46A1 (0.56) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL29453706 0.90 CYP46A1 (0.56) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22719329 0.90 CYP46A1 (0.55) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL29453644 0.90 CYP46A1 (0.55) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22719129 0.90 CYP46A1 (0.51) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL29453737 0.90 CYP46A1 (0.51) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL22719352 0.88 CYP46A1 (0.61) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8

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 CYP46A1 1/4885CYP2C9 38/4885CYP2C19 28/4885

“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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