SCHEMBL24484631

SCHEMBL24484631

O=C(c1cccnc1-c1ccncn1)N1CCC(O)(Cc2ccccn2)CC1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 16/20 0.81
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C8 P10632 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ PKLR P30613 1/20 0.47
▸ AVPR1A P37288 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ P2RX7 Q99572 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
SCHEMBL24484633 0.90 CYP46A1 (0.69) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849017 0.90 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14841024 0.90 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849089 0.88 CYP46A1 (1.00) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL26081041 0.86 CYP46A1 (0.69) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840094 0.85 CYP46A1 (0.84) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849105 0.84 CYP46A1 (0.78) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14849030 0.83 CYP46A1 (0.79) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14848971 0.83 CYP46A1 (0.79) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL14840555 0.83 CYP46A1 (0.79) 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 6 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
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
EP-4251618-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) 2023-10-04 — — EP 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
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 1/4885CYP3A4 26/4885CYP2C8 64/4885

“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.

Send feedback