SCHEMBL3663933

SCHEMBL3663933

O=C(O)N1CCN(c2ccc(Oc3ncc(F)cn3)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.42
HPGDS O60760 3/20 0.36
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C8 P10632 1/20 0.34
LHCGR P22888 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 4/20 0.34
USP2 O75604 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL3665587 0.89 TUBB4A (0.43) HSD11B1HPGDSGPBAR1METMAPK1
SCHEMBL3664360 0.79 LTA4H (0.43) HSD11B1KCNH2MET
SCHEMBL3661667 0.79 HSD11B1 (0.36) HSD11B1CYP3A4CYP2C19MET
SCHEMBL973675 0.77 HSD11B1 (0.63) HSD11B1
SCHEMBL30673842 0.74 HSD11B1 (0.54) HSD11B1
SCHEMBL974217 0.73 HSD11B1 (0.44) HSD11B1ALDH1A1USP2MEN1KMT2A
SCHEMBL3666304 0.73 HSD11B1 (0.42) HSD11B1TSHRHSD17B10CYP2C9ALDH1A1
SCHEMBL9982786 0.72 LIPE (0.39) HSD11B1HPGDS
SCHEMBL3721757 0.72 HSD11B1 (0.38) HSD11B1MET
SCHEMBL3802196 0.71 HSD11B1 (0.39) HSD11B1TSHRALDH1A1

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 10 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 claimed
US-8211892-B2 Tetrahydroquinoxaline urea derivatives SANOFI-AVENTIS (FR) 2012-07-03 US claimed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO claimed
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
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 (1 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-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885HPGDS 808/4885TSHR 3515/4885

“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.