SCHEMBL23148995

SCHEMBL23148995

O=C(O)N1CC(c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
MGLL Q99685 4/20 0.47
BCL9 O00512 5/20 0.43
CTNNB1 P35222 5/20 0.43
HSD11B1 P28845 1/20 0.43
HCRTR2 O43614 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PPARA Q07869 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL23752826 0.90 NOTUM (0.49) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL30177218 0.90 NOTUM (0.49) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL23752824 0.90 NOTUM (0.49) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL23752827 0.90 NOTUM (0.49) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL21381632 0.90 NOTUM (0.52) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL23211936 0.90 NOTUM (0.52) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL20757253 0.83 RORC (0.48) NOTUMMGLLBCL9CTNNB1HCRTR2
SCHEMBL29849889 0.83 RORC (0.48) NOTUMMGLLBCL9CTNNB1HCRTR2
SCHEMBL20743120 0.82 USP30 (0.44) NOTUMMGLLBCL9CTNNB1HSD11B1
SCHEMBL23859715 0.81 MGLL (0.63) NOTUMMGLLHSD11B1DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US 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-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 NOTUM 3893/4885MGLL 3585/4885BCL9 2710/4885

“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.