SCHEMBL23148993

SCHEMBL23148993

COc1cc(COC2CN(OC(=O)C(F)(F)F)C2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.42
SIGMAR1 Q99720 5/20 0.40
TMEM97 Q5BJF2 3/20 0.40
ALKBH1 Q13686 1/20 0.40
CACNA1H O95180 1/20 0.37
BACE1 P56817 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL23148992 0.77 SLC6A4 (0.40) DRD4ALKBH1BACE1
SCHEMBL23149102 0.75 CARM1 (0.46)
SCHEMBL23149065 0.74 ALKBH1 (0.38) ALKBH1
SCHEMBL21381870 0.73 ALDH1A1 (0.36)
SCHEMBL23152298 0.73 IDO1 (0.45)
SCHEMBL21722882 0.71 EPHX2 (0.38)
SCHEMBL21722845 0.70 NAAA (0.41)
SCHEMBL21590503 0.70 GRIN1 (0.43)
SCHEMBL2287592 0.67 SLC6A4 (0.55)
SCHEMBL932731 0.67 PDK2 (0.32)

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
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
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 DRD4 572/4885SIGMAR1 912/4885TMEM97 4329/4885

“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.