SCHEMBL973696

SCHEMBL973696

CC(C)(C)OC(=O)NC1C2CC3CC1CC(NC(=O)OCc1ccccc1)(C3)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.45
FAAH O00519 3/20 0.43
CNR2 P34972 3/20 0.43
CNR1 P21554 1/20 0.43
FKBP1A P62942 2/20 0.43
SYK P43405 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
HSD11B2 P80365 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
CPB1 P15086 1/20 0.41

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
SCHEMBL973697 1.00 EPHX2 (0.45) EPHX2KMT2AMEN1MAPK1FAAH
SCHEMBL13138629 0.85 EPHX2 (0.47) EPHX2KMT2AMEN1MAPK1FAAH
SCHEMBL10131882 0.85 EPHX2 (0.49) EPHX2KMT2AMEN1MAPK1FAAH
SCHEMBL10297217 0.85 EPHX2 (0.49) EPHX2KMT2AMEN1MAPK1FAAH
SCHEMBL1845542 0.85 EPHX2 (0.48) EPHX2KMT2ASYKL3MBTL1HSD11B1
SCHEMBL1845546 0.85 EPHX2 (0.48) EPHX2KMT2ASYKL3MBTL1HSD11B1
SCHEMBL12578286 0.85 EPHX2 (0.48) EPHX2KMT2ASYKL3MBTL1HSD11B1
SCHEMBL1845549 0.85 EPHX2 (0.48) EPHX2KMT2ASYKL3MBTL1HSD11B1
SCHEMBL12876554 0.82 EPHX2 (0.50) EPHX2KMT2AMEN1MAPK1FAAH
SCHEMBL12699169 0.82 EPHX2 (0.50) EPHX2KMT2AMEN1MAPK1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US claimed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US claimed
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-09-27 US disclosed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT EPHX2 1637/4885KMT2A 2292/4885MEN1 2271/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT EPHX2 956/4885KMT2A 1316/4885MEN1 2665/4885

“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.