SCHEMBL3662832

SCHEMBL3662832

O=C(O)N1CCN(c2ccc(-c3ccc(OC4CCNCC4)cn3)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
HSD11B1 P28845 3/20 0.40
HRH1 P35367 2/20 0.40
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 2/20 0.39
BMPR1B O00238 2/20 0.39
BMPR1A P36894 2/20 0.39
ACVRL1 P37023 2/20 0.39
ACVR1 Q04771 2/20 0.39
ROCK2 O75116 1/20 0.39
ACVR1B P36896 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GRK6 P43250 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
KHK P50053 1/20 0.37
KDM1A O60341 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 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
SCHEMBL3665946 0.83 HSD11B1 (0.50) HRH3HSD11B1HRH1KCNH2GRK6
SCHEMBL974198 0.81 HSD11B1 (0.59) HSD11B1
SCHEMBL3802196 0.80 HSD11B1 (0.39) HSD11B1MCHR1ROCK2TNKS2
SCHEMBL3667493 0.79 HSD11B1 (0.38) HRH3HSD11B1MCHR1ROCK2
SCHEMBL3721757 0.78 HSD11B1 (0.38) HSD11B1MCHR1ROCK2TNKS2
SCHEMBL9982786 0.78 LIPE (0.39) HSD11B1MCHR1
SCHEMBL3792452 0.78 MDM2 (0.40) HSD11B1MCHR1
SCHEMBL3665796 0.77 HSD11B1 (0.37) HSD11B1MCHR1
SCHEMBL3663903 0.75 HSD11B1 (0.46) HSD11B1HRH1
SCHEMBL3664852 0.75 HSD11B1 (0.41) HSD11B1KDM1A

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 HRH3 834/4885HSD11B1 2913/4885HRH1 804/4885

“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.