SCHEMBL24484633

SCHEMBL24484633

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 10/20 0.69
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ HTR1A P08908 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ PKLR P30613 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 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
SCHEMBL24484680 0.90 CYP46A1 (0.62) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484231 0.90 CYP46A1 (0.62) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484631 0.90 CYP46A1 (0.81) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484707 0.89 CYP46A1 (0.60) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484285 0.88 CYP46A1 (0.59) CYP46A1HTR1A
SCHEMBL24484652 0.88 CYP46A1 (0.59) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484676 0.87 CYP46A1 (0.60) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484634 0.86 CYP46A1 (0.57) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL24484695 0.86 CYP46A1 (0.59) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8
SCHEMBL30600359 0.86 CYP46A1 (0.56) CYP46A1CYP2C9CYP2C19CYP3A4CYP2C8

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 1/4885CYP2C9 35/4885CYP2C19 33/4885

“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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