SCHEMBL24484663

SCHEMBL24484663

O=C(c1cccnc1-c1ccncn1)N1CCC(F)(Cc2ccc(F)cc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 7/20 0.59
▸ HTR2A P28223 7/20 0.45
▸ HTR2C P28335 7/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ CASP6 P55212 1/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA1A P35348 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
SCHEMBL14840592 0.91 CYP46A1 (0.69) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL24484291 0.90 CYP46A1 (0.62) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL24484289 0.90 CYP46A1 (0.56) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL24484643 0.89 CYP46A1 (0.55) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL29453755 0.88 CYP46A1 (0.56) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL22719423 0.88 CYP46A1 (0.56) CYP46A1HTR2AHTR2CKCNH2CYP3A4
SCHEMBL30595268 0.87 CYP46A1 (0.68) CYP46A1HTR2ACYP3A4CYP2C8CYP2C9
SCHEMBL24484750 0.87 CYP46A1 (0.68) CYP46A1HTR2ACYP3A4CYP2C8CYP2C9
SCHEMBL24484253 0.86 CYP46A1 (0.65) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL24484707 0.85 CYP46A1 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
WO-2022261510-A1 NEUROACTIVE STEROID FOR THE TREATMENT OF ALZHEIMER'S DISEASE SAGE THERAPEUTICS, INC. (US) 2022-12-15 — — WO disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 — — 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CYP46A1 1/4885HTR2A 1083/4885HTR2C 1701/4885

“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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