SCHEMBL22719285

SCHEMBL22719285

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)c2cc(Cl)ccc2-c2ccncn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 12/20 0.50
▸ ALDH1A1 P00352 3/20 0.42
▸ P2RX7 Q99572 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ FRK P42685 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ FPR2 P25090 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL29453637 0.94 CYP46A1 (0.53) CYP46A1ALDH1A1
SCHEMBL22719256 0.94 CYP46A1 (0.53) CYP46A1ALDH1A1
SCHEMBL22719463 0.89 CYP46A1 (0.48) CYP46A1ALDH1A1
SCHEMBL22719464 0.89 CYP46A1 (0.52) CYP46A1ALDH1A1
SCHEMBL22719283 0.89 CYP46A1 (0.65) CYP46A1ALDH1A1
SCHEMBL29453733 0.88 CYP46A1 (0.47) CYP46A1ALDH1A1
SCHEMBL22719294 0.88 CYP46A1 (0.47) CYP46A1ALDH1A1
SCHEMBL22719351 0.82 CYP46A1 (0.49) CYP46A1ALDH1A1
SCHEMBL22719357 0.82 CYP46A1 (0.64) CYP46A1ALDH1A1
SCHEMBL29453666 0.82 CYP46A1 (0.64) CYP46A1ALDH1A1

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
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
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 1/4885ALDH1A1 144/4885P2RX7 1506/4885

“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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