SCHEMBL23211857

SCHEMBL23211857

CC(OC1CN(C(=O)O)C1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.45
DPP4 P27487 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
DPP8 Q6V1X1 1/20 0.42
TEAD1 P28347 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL23211906 0.85 MAPT (0.46) TACR1
SCHEMBL2249928 0.82 CYP17A1 (0.44) DPP4
SCHEMBL23211870 0.79 DPP4 (0.46) DPP4DPP7DPP8TEAD1AKR1C3
SCHEMBL23212032 0.71 TEAD1 (0.50) DPP4DPP7DPP8TEAD1AKR1C3
Hydrochloric Acid SCHEMBL23211835 0.70 HTR2C (0.50)
SCHEMBL5011850 0.70 TACR1 (0.86) TACR1
SCHEMBL17729557 0.70 NOTUM (0.44) DPP4DPP7AKR1C3
SCHEMBL22462854 0.69 DPP4 (0.39) DPP4DPP7DPP8TEAD1
SCHEMBL29346622 0.69 AKR1C3 (0.44) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL5009607 0.69 TACR1 (0.85) TACR1

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-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 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 (2 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC TACR1 4454/4885DPP4 542/4885DPP7 730/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC TACR1 4454/4885DPP4 542/4885DPP7 730/4885

“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.