SCHEMBL16029636

SCHEMBL16029636

CCOC(=O)C(C)Cn1cccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.51
FDPS P14324 1/20 0.47
TSHR P16473 2/20 0.41
THRB P10828 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL20713652 0.83 NLRP3 (0.51) NLRP3FDPSTSHRTHRBHDAC1
SCHEMBL4791740 0.81 FDPS (0.51) NLRP3FDPSTSHRHDAC1HDAC6
SCHEMBL846777 0.81 FDPS (0.51) NLRP3FDPSTSHRHDAC1HDAC6
SCHEMBL13442958 0.81 FDPS (0.51) NLRP3FDPSTSHRTHRBHDAC1
SCHEMBL4797265 0.79 FDPS (0.50) NLRP3FDPSTSHRHDAC1HDAC6
SCHEMBL4940046 0.77 FDPS (0.47) NLRP3FDPSTSHRHDAC1HDAC6
SCHEMBL3138975 0.75 NLRP3 (0.40) NLRP3FDPSTSHRKDM4EPOLB
SCHEMBL4083681 0.75 NLRP3 (0.40) NLRP3FDPSTSHRKDM4EPOLB
SCHEMBL20702995 0.74 NLRP3 (0.60) NLRP3KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL1093819 0.74 GSK3A (0.44) NLRP3FDPSTSHRTHRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
EP-3404032-A2 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-11-21 EP disclosed
US-9303043-B2 Process for making benzoxazepin compounds GREENTECH, INC. (US) 2016-04-05 US disclosed
US-9303043-B2 Process for making benzoxazepin compounds GREENTECH, INC. (US) 2016-04-05 US disclosed
US-9303043-B2 Process for making benzoxazepin compounds GREENTECH, INC. (US) 2016-04-05 US disclosed
CN-105377856-A Process for preparing benzoxazepine compounds HOFFMANN LA ROCHE 2016-03-02 CN disclosed
EP-2970329-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-20 EP disclosed
CN-104271569-A Pyrazolylaminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2015-01-07 CN disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
WO-2014140073-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
WO-2014140073-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO disclosed
CN-101233139-A Alpha-(aryl-or heteroaryl-methyl)-beta-piperidinopropanoic acid compounds as ORL1-receptor antagonists PFIZER (US) 2008-07-30 CN 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-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS PIK3C2B, PIP4K2C, PIK3C2A NLRP3 1745/4885FDPS 604/4885TSHR 2931/4885

“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.