SCHEMBL22719362

SCHEMBL22719362

C[C@H](c1ccc(F)cc1F)C1(C#N)CCN(C(=O)c2cccnc2-c2ccncn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 7/20 0.50
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GPR6 P46095 1/20 0.35
▸ ALDH1A1 P00352 7/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PKM P14618 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
SCHEMBL29453757 1.00 CYP46A1 (0.50) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL29453719 1.00 CYP46A1 (0.50) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL22719266 1.00 CYP46A1 (0.50) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL22719483 1.00 CYP46A1 (0.50) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL29453705 0.91 CYP46A1 (0.47) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL22719194 0.91 CYP46A1 (0.47) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL29453678 0.91 CYP46A1 (0.47) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL22719393 0.91 CYP46A1 (0.47) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL22719410 0.91 CYP46A1 (0.47) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9
SCHEMBL22719217 0.90 CYP46A1 (0.51) CYP46A1KDM4ECYP3A4CYP2C8CYP2C9

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 1/4885KDM4E 2676/4885CYP3A4 35/4885

“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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