SCHEMBL22719293

SCHEMBL22719293

CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
JAK2 O60674 6/20 0.43
JAK1 P23458 6/20 0.43
GPR119 Q8TDV5 9/20 0.41
TACR1 P25103 1/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41
PPARD Q03181 1/20 0.39

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
SCHEMBL3355141 0.88 JAK2 (0.49) JAK2JAK1GPR119
SCHEMBL22719280 0.87 TACR1 (0.41) JAK2JAK1GPR119TACR1
SCHEMBL22719214 0.87 GPR119 (0.42) JAK2JAK1GPR119
SCHEMBL26081084 0.85 MGLL (0.46) MGLLGPR119TACR1MMP13ADAM17
SCHEMBL22719333 0.85 GPR119 (0.47) JAK2JAK1GPR119MMP13
SCHEMBL22719164 0.84 TACR1 (0.48) MGLLJAK2JAK1GPR119TACR1
SCHEMBL22719366 0.83 GPR119 (0.43) JAK2JAK1GPR119
SCHEMBL22719348 0.83 GPR119 (0.41) JAK2JAK1GPR119
SCHEMBL3494553 0.83 NAMPT (0.44) MGLLJAK2JAK1MMP13ADAM17
SCHEMBL4635533 0.82 JAK2 (0.47) JAK2JAK1GPR119

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 MGLL 1579/4885JAK2 2813/4885JAK1 2221/4885

“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.