SCHEMBL287075

SCHEMBL287075

O=C(O)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 7/20 0.58
L3MBTL1 Q9Y468 2/20 0.50
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CNR2 P34972 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ASPH Q12797 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1977314 0.87 P4HTM (0.55) P4HTML3MBTL1P4HA1MIFKDM4E
SCHEMBL15994885 0.85 KMT2A (0.58) P4HTML3MBTL1KDM4EALDH1A1CACNA1G
SCHEMBL27039792 0.85 CACNA1I (0.45) P4HTML3MBTL1KDM4EALDH1A1CACNA1G
SCHEMBL29601148 0.85 CACNA1I (0.45) P4HTML3MBTL1KDM4EALDH1A1CACNA1G
SCHEMBL1974946 0.84 P4HTM (0.52) P4HTML3MBTL1P4HA1MIFKDM4E
SCHEMBL21078924 0.84 CACNA1G (0.42) P4HTML3MBTL1KDM4EALDH1A1CACNA1G
SCHEMBL15350553 0.84 P4HTM (0.55) P4HTML3MBTL1P4HA1MIFKDM4E
SCHEMBL11410863 0.83 P4HTM (0.54) P4HTML3MBTL1P4HA1MIFKDM4E
SCHEMBL27039858 0.83 CACNA1G (0.41) P4HTML3MBTL1KDM4EALDH1A1CACNA1G
SCHEMBL286756 0.83 MAPK1 (0.53) L3MBTL1KDM4EALDH1A1CACNA1GCACNA1H

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 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP claimed
CN-105683199-B 5-aryl-1-imino-1-oxo- [1, 2, 4] thiadiazines 豪夫迈·罗氏有限公司 2018-06-26 CN claimed
CN-106349156-A Pyridine-2-amides capable of being used as CB2 agonist 霍夫曼-拉罗奇有限公司 2017-01-25 CN claimed
EP-2673278-B1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN LA ROCHE (CH) 2016-12-14 EP claimed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US claimed
EP-3083644-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES F. Hoffmann-La Roche AG (CH) 2016-10-26 EP claimed
CN-103608332-B Pyridine-2-amides useful as CB2 agonists 霍夫曼-拉罗奇有限公司 2016-09-28 CN claimed
CN-103380134-B N-[3-(5-amino-3,3A, 7,7A-tetrahydrochysene-1H-2,4-dioxa-6-azepine-indenes-7-base)-phenyl]-amide as BACE1 and/or BACE2 inhibitor 霍夫曼-拉罗奇有限公司 2016-08-24 CN claimed
CN-105683199-A 5-aryl-1-imino-1-oxo- [1,2,4] thiadiazines 豪夫迈·罗氏有限公司 2016-06-15 CN claimed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 US claimed
WO-2012139993-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-18 WO claimed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP claimed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 US claimed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US claimed
WO-2012107371-A1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO claimed
US-20120202803-A1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 P4HTM 1979/4885L3MBTL1 4014/4885P4HA1 540/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP P4HTM 958/4885L3MBTL1 4523/4885P4HA1 233/4885
US-20120202803-A1 N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, IAPP P4HTM 2615/4885L3MBTL1 4670/4885P4HA1 1008/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 P4HTM 1357/4885L3MBTL1 4206/4885P4HA1 408/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 P4HTM 902/4885L3MBTL1 4566/4885P4HA1 448/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 P4HTM 1357/4885L3MBTL1 4206/4885P4HA1 408/4885

“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.