SCHEMBL22719126

SCHEMBL22719126

N#CC1(Cc2ccc(Cl)cc2F)CCN(C(=O)c2cccnc2-c2ccncn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 7/20 0.54
▸ PROKR1 Q8TCW9 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ 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
▸ P2RX7 Q99572 3/20 0.37
▸ HTR1A P08908 3/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL29453690 1.00 CYP46A1 (0.54) CYP46A1PROKR1CYP3A4CYP2C8CYP2C9
SCHEMBL29453755 0.92 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719423 0.92 CYP46A1 (0.56) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719291 0.90 CYP46A1 (0.54) CYP46A1PROKR1CYP3A4CYP2C8CYP2C9
SCHEMBL29453662 0.90 CYP46A1 (0.54) CYP46A1PROKR1CYP3A4CYP2C8CYP2C9
SCHEMBL22719419 0.89 CYP46A1 (0.52) CYP46A1PROKR1CYP3A4CYP2C8CYP2C9
SCHEMBL29453782 0.89 CYP46A1 (0.52) CYP46A1PROKR1CYP3A4CYP2C8CYP2C9
SCHEMBL22719220 0.89 CYP46A1 (0.53) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29453730 0.89 CYP46A1 (0.53) CYP46A1CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL22719375 0.89 CYP46A1 (0.56) 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
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 1/4885PROKR1 4177/4885CYP3A4 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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