SCHEMBL973541

SCHEMBL973541

CC(C)(C)OC(=O)N1CCN(c2ccc(C3=CCN(C(C)(C)C)CC3)cn2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
GRM5 P41594 5/20 0.39
GRM1 Q13255 5/20 0.39
HSD11B1 P28845 4/20 0.38
BTK Q06187 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HSD11B2 P80365 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP11B2 P19099 1/20 0.37
TNK2 Q07912 1/20 0.36
PDK4 Q16654 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
SCHEMBL31506839 0.77 SCN9A (0.48) GRM5HSD11B1SCN5ASCN9AHSD11B2
SCHEMBL26933937 0.77 SCN9A (0.48) GRM5HSD11B1SCN5ASCN9AHSD11B2
SCHEMBL974575 0.77 HDAC1 (0.43) HSD11B1SCN5ASCN9AHSD11B2HDAC1
SCHEMBL973976 0.77 HSD11B1 (0.43) NAMPTHSD11B1SCN5ASCN9AHSD11B2
SCHEMBL975330 0.72 HSD11B1 (0.48) HSD11B1SCN5ASCN9AHSD11B2HDAC1
SCHEMBL31631235 0.72 GPR119 (0.50) GRM5SCN5ASCN9AHDAC1HDAC6
SCHEMBL26933920 0.72 GPR119 (0.50) GRM5SCN5ASCN9AHDAC1HDAC6
SCHEMBL975484 0.71 USP30 (0.49) HSD11B1SCN5ASCN9AHSD11B2HDAC1
SCHEMBL973444 0.70 HSD11B1 (0.49) HSD11B1HSD11B2
SCHEMBL25318823 0.70 NAMPT (0.52) NAMPTGRM5GRM1BTKPDE10A

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 NAMPT 88/4885GRM5 1541/4885GRM1 1426/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT NAMPT 121/4885GRM5 1229/4885GRM1 1060/4885

“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.