SCHEMBL21381817

SCHEMBL21381817

O=C(ON1CC(c2ccc(OCC(F)(F)F)cc2)C1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIPE Q05469 7/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SCN9A Q15858 2/20 0.36
ACACB O00763 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL10006676 0.82 HTR2C (0.41) ALDH1A1POLBACACBKDM4E
SCHEMBL21385821 0.81 ACACB (0.34) CACNA1GCACNA1HCACNA1ILIPEACACB
SCHEMBL23211994 0.80 SCN9A (0.45) CACNA1GCACNA1HCACNA1INPC1RAB9A
SCHEMBL23455779 0.79 MGLL (0.37) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL10006606 0.79 MEN1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL21382111 0.77 SLC6A9 (0.41) LIPEACACB
SCHEMBL23211837 0.77 LIPE (0.59) CACNA1GCACNA1HCACNA1ILIPEKDM4E
SCHEMBL21382139 0.75 RORC (0.39) ACACB
SCHEMBL28834474 0.75 ACACB (0.46) ALDH1A1ACACBKDM4EKMT2A
SCHEMBL21381950 0.74 MEN1 (0.45) LIPEMEN1KMT2A

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 6 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
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 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 (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 CACNA1G 4444/4885CACNA1H 4578/4885CACNA1I 3752/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CACNA1G 4444/4885CACNA1H 4578/4885CACNA1I 3752/4885

“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.