SCHEMBL974103

SCHEMBL974103

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCNCC3)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
KDM1A O60341 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NAMPT P43490 1/20 0.40
ADRB1 P08588 4/20 0.40
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
SIGMAR1 Q99720 3/20 0.40

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
SCHEMBL975330 0.86 HSD11B1 (0.48) HDAC1HDAC6KDM1ASCN5ASCN9A
SCHEMBL27829801 0.84 HDAC1 (0.48) HDAC1HDAC6ALDH1A1GPR119KDM1A
SCHEMBL27809383 0.83 HSD11B1 (0.54) HDAC1HDAC6ALDH1A1TSHRHSD17B10
SCHEMBL1856880 0.82 HSD11B1 (0.48) HDAC1HDAC6GPR119KDM1ASCN5A
SCHEMBL973406 0.81 KDM1A (0.43) HDAC1HDAC6ALDH1A1HSD17B10GPR119
SCHEMBL3662166 0.81 ALDH1A1 (0.55) ALDH1A1USP2TSHRHSD17B10ADRB1
SCHEMBL973416 0.80 HSD11B1 (0.43) HDAC1HDAC6ALDH1A1GPR119KDM1A
SCHEMBL974697 0.79 TMEM97 (0.47) HDAC1HDAC6ALDH1A1GPR119LMNA
SCHEMBL973913 0.78 GPR119 (0.43) GPR119KDM1ANAMPT
SCHEMBL974204 0.78 HDAC1 (0.44) HDAC1HDAC6GPR119LMNAMAPT

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 8 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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN 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 HDAC1 2906/4885HDAC6 2013/4885ALDH1A1 2007/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HDAC1 2818/4885HDAC6 2093/4885ALDH1A1 936/4885

“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.