SCHEMBL973976

SCHEMBL973976

CC(C)(C)OC(=O)N1CCN(c2ccc(C3CCN(C(C)(C)C)CC3)cn2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.43
HSD11B2 P80365 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KDM1A O60341 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
WNT3A P56704 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
SCHEMBL13696488 0.88 HSD11B1 (0.46) HSD11B1HSD11B2HDAC1
SCHEMBL9982222 0.88 HSD11B1 (0.50) HSD11B1HSD11B2HDAC1
SCHEMBL974575 0.79 HDAC1 (0.43) HSD11B1HSD11B2KDM1ASCN5ASCN9A
SCHEMBL26933937 0.79 SCN9A (0.48) HSD11B1HSD11B2KDM1ASCN5ASCN9A
SCHEMBL31506839 0.79 SCN9A (0.48) HSD11B1HSD11B2KDM1ASCN5ASCN9A
SCHEMBL973541 0.77 NAMPT (0.39) HSD11B1HSD11B2SCN5ASCN9AHDAC1
SCHEMBL3661545 0.76 HSD11B1 (0.48) HSD11B1HSD11B2HDAC1GPR119
SCHEMBL975330 0.74 HSD11B1 (0.48) HSD11B1HSD11B2KDM1ASCN5ASCN9A
SCHEMBL975713 0.74 HSD11B1 (0.59) HSD11B1HSD11B2GPR119
SCHEMBL31631235 0.74 GPR119 (0.50) KDM1ASCN5ASCN9AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HSD11B1 4293/4885HSD11B2 4431/4885DDB1 611/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885HSD11B2 3024/4885DDB1 2498/4885

“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.