SCHEMBL973406

SCHEMBL973406

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCC4(CC3)OCCO4)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
LGMN Q99538 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GPR119 Q8TDV5 5/20 0.40
F12 P00748 1/20 0.39
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
USP30 Q70CQ3 1/20 0.36
HSD11B1 P28845 2/20 0.36
PDK2 Q15119 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 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
SCHEMBL9982199 0.83 HSD11B1 (0.48) LGMNF12ALDH1A1HSD11B1MEN1
SCHEMBL974103 0.81 HDAC1 (0.44) KDM1AHDAC1HDAC6GPR119NAMPT
SCHEMBL27829801 0.80 HDAC1 (0.48) KDM1AHDAC1HDAC6GPR119NAMPT
SCHEMBL27809383 0.79 HSD11B1 (0.54) HDAC1HDAC6GPR119ALDH1A1MAPT
SCHEMBL1856880 0.76 HSD11B1 (0.48) KDM1AHDAC1HDAC6GPR119SCN5A
SCHEMBL973416 0.76 HSD11B1 (0.43) KDM1AHDAC1HDAC6GPR119NAMPT
SCHEMBL974697 0.75 TMEM97 (0.47) HDAC1HDAC6GPR119NAMPTALDH1A1
SCHEMBL973913 0.73 GPR119 (0.43) KDM1AGPR119NAMPT
SCHEMBL974204 0.73 HDAC1 (0.44) HDAC1HDAC6GPR119LMNAMAPT
SCHEMBL19280531 0.71 HDAC1 (0.45) KDM1AHDAC1HDAC6GPR119ALDH1A1

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 7 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
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 KDM1A 2520/4885LGMN 632/4885HDAC1 2906/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT KDM1A 1231/4885LGMN 267/4885HDAC1 2818/4885

“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.