SCHEMBL24484235

SCHEMBL24484235

N#Cc1ccn(CC2(F)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 12/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP2C8 P10632 1/20 0.52
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2D6 P10635 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL24484238 0.89 CYP46A1 (0.54) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484240 0.83 CYP46A1 (0.52) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484237 0.80 CYP46A1 (0.57) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484297 0.80 CYP46A1 (0.58) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484296 0.78 CYP46A1 (0.54) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484822 0.77 CYP46A1 (0.58) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL30600353 0.77 CYP46A1 (0.58) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484612 0.77 CYP46A1 (0.58) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484234 0.76 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL24484264 0.76 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C9CYP2C19CYP2C8

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
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-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 26/4885CYP2C9 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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