SCHEMBL3658796

SCHEMBL3658796

O=C(O)N1CCN(c2ccc(N3CCN(S(=O)(=O)C(F)(F)F)CC3)cn2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.60
HSD11B2 P80365 1/20 0.44
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
GCK P35557 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3661779 0.87 HSD11B1 (0.58) HSD11B1HSD11B2POLBTHRBKMT2A
SCHEMBL3664472 0.87 HSD11B1 (0.63) HSD11B1HSD11B2MEN1KMT2A
SCHEMBL3663446 0.86 HSD11B1 (0.45) HSD11B1GCKMEN1KMT2A
SCHEMBL3662812 0.86 HSD11B1 (0.60) HSD11B1HSD11B2POLBTHRBMEN1
SCHEMBL3664665 0.86 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL3659681 0.86 HSD11B1 (0.62) HSD11B1HSD11B2KMT2A
SCHEMBL3663716 0.85 HSD11B1 (0.69) HSD11B1HSD11B2POLBTHRB
SCHEMBL3662702 0.84 HSD11B1 (0.60) HSD11B1HSD11B2POLBTHRB
SCHEMBL3662720 0.83 HSD11B1 (0.65) HSD11B1HSD11B2POLBTHRBMEN1
SCHEMBL3661380 0.83 HSD11B1 (0.65) HSD11B1HSD11B2MEN1KMT2A

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 12 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-1807175-B1 MEMBRANE FOR THE SEPARATION OF MATERIAL MIXTURES AND METHOD FOR PRODUCTION THEREOF HELMHOLTZ ZENTRUM GEESTHACHT (DE) 2011-12-14 EP 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-1807175-B1 MEMBRANE FOR THE SEPARATION OF MATERIAL MIXTURES AND METHOD FOR PRODUCTION THEREOF HELMHOLTZ ZENTRUM GEESTHACHT (DE) 2011-12-14 EP 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 2913/4885HSD11B2 3024/4885POLB 1996/4885

“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.