SCHEMBL22719423

SCHEMBL22719423

N#CC1(Cc2ccc(F)cc2F)CCN(C(=O)c2cccnc2-c2ccncn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 7/20 0.56
▸ HTR2A P28223 6/20 0.42
▸ HTR2C P28335 6/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KCNK3 O14649 2/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL29453755 1.00 CYP46A1 (0.56) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL29453706 0.93 CYP46A1 (0.56) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL22719375 0.93 CYP46A1 (0.56) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL22719126 0.92 CYP46A1 (0.54) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL29453690 0.92 CYP46A1 (0.54) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL22719482 0.91 CYP46A1 (0.58) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL29453697 0.91 CYP46A1 (0.58) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL29453730 0.90 CYP46A1 (0.53) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL22719220 0.90 CYP46A1 (0.53) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL24710216 0.90 CYP46A1 (0.53) CYP46A1HTR2AHTR2CKCNH2CYP3A4

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 1/4885HTR2A 1095/4885HTR2C 1504/4885

“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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