SCHEMBL22719382

SCHEMBL22719382

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)c2cccnc2-c2ccncn2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 10/20 0.60
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.34
▸ PRKAA2 P54646 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ P2RX7 Q99572 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
SCHEMBL29453746 1.00 CYP46A1 (0.60) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719450 1.00 CYP46A1 (0.60) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719407 1.00 CYP46A1 (0.60) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453671 1.00 CYP46A1 (0.60) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719357 0.95 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453666 0.95 CYP46A1 (0.64) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL24710121 0.87 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL30001242 0.87 CYP46A1 (0.61) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719440 0.87 CYP46A1 (0.76) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719288 0.86 CYP46A1 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 — — US disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 — — EP 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 35/4885CYP2C8 128/4885

“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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