SCHEMBL974697

SCHEMBL974697

CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.47
SIGMAR1 Q99720 8/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL973454 0.88 HDAC1 (0.52) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL26099446 0.81 TMEM97 (0.57) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL27829801 0.80 HDAC1 (0.48) NPSR1GPR119LMNAMAPTALDH1A1
SCHEMBL1842426 0.79 MEN1 (0.61) MEN1KMT2ANPSR1GPR119MAPT
SCHEMBL974103 0.79 HDAC1 (0.44) SIGMAR1GPR119LMNAMAPTALDH1A1
SCHEMBL27809383 0.79 HSD11B1 (0.54) MEN1KMT2ANPSR1GPR119MAPT
SCHEMBL20046839 0.78 KMT2A (0.55) MEN1KMT2ANPSR1GPR119LMNA
SCHEMBL31198857 0.78 GPR119 (0.57) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL31330699 0.78 NPC1 (0.56) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL25170650 0.77 MEN1 (0.56) TMEM97SIGMAR1HTR1AADRA2AADRA2B

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 TMEM97 3593/4885SIGMAR1 3531/4885HTR1A 3040/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT TMEM97 4462/4885SIGMAR1 3895/4885HTR1A 1183/4885

“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.