SCHEMBL22719147

SCHEMBL22719147

COc1ccc(CC2(C#N)CCN(C(=O)c3cccnc3-c3ccncn3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 7/20 0.61
▸ CYP3A4 P08684 9/20 0.46
▸ CYP2C9 P11712 6/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 2/20 0.41
▸ CYP2D6 P10635 6/20 0.41
▸ USP2 O75604 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL29453714 1.00 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL22719400 0.91 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL29453762 0.91 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL29453698 0.91 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL22719174 0.91 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL22719440 0.89 CYP46A1 (0.76) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL29453670 0.89 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL22719175 0.89 CYP46A1 (0.59) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL22719321 0.89 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19
SCHEMBL29453814 0.89 CYP46A1 (0.59) CYP46A1CYP3A4CYP2C9CYP2C8CYP2C19

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 1/4885CYP3A4 35/4885CYP2C9 38/4885

“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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