SCHEMBL2833080

SCHEMBL2833080

CC(Oc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A4 P31645 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTPN5 P54829 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL17707975 0.81 ACHE (0.41) LMNATDP1MAPTALDH1A1MEN1
SCHEMBL11433 0.79 TDP1 (0.43) TDP1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL11238 0.79 TDP1 (0.43) TDP1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL9856281 0.79 ESR2 (0.45) KDM4EMEN1KMT2APTPN5RORC
SCHEMBL10941 0.79 TDP1 (0.43) TDP1MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL14227141 0.79 LDHA (0.39) LDHALMNATDP1SLC6A4MAPT
SCHEMBL28060320 0.78 KDM4E (0.39) LMNASLC6A4ALDH1A1KDM4EMEN1
SCHEMBL4323295 0.78 LDHA (0.45) LDHALMNATDP1SLC6A4MAPT
SCHEMBL18833426 0.78 KDM4E (0.39) LMNASLC6A4ALDH1A1KDM4EMEN1
SCHEMBL3945052 0.77 LDHA (0.44) LDHALMNATDP1SLC6A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed
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
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (4 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 LDHA 1740/4885LMNA 381/4885TDP1 3959/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC LDHA 1740/4885LMNA 381/4885TDP1 3959/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 LDHA 4423/4885LMNA 4424/4885TDP1 372/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 LDHA 4423/4885LMNA 4424/4885TDP1 372/4885

“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.