SCHEMBL22719188

SCHEMBL22719188

N#CC1(Cc2cnc(C(F)(F)F)nc2)CCN(C(=O)c2cccnc2-c2ccncn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 10/20 0.58
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ SPR P35270 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ VNN1 O95497 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL29453638 1.00 CYP46A1 (0.58) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453724 0.90 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719185 0.90 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719352 0.89 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453788 0.89 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719186 0.89 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453681 0.89 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL24484287 0.88 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719439 0.87 CYP46A1 (0.59) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453798 0.87 CYP46A1 (0.59) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19

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 3 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

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 1/4885CYP3A4 35/4885CYP2C8 128/4885

“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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