SCHEMBL3662110

SCHEMBL3662110

CC(C)(CO)N1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.45
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.39
KDM5B Q9UGL1 1/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
RBP4 P02753 1/20 0.36
HTT P42858 1/20 0.36
PLA2G1B P04054 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
HSD11B2 P80365 1/20 0.36
MAPK1 P28482 1/20 0.35
USP2 O75604 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
SCHEMBL13696422 0.91 BRD4 (0.41) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3663546 0.88 HSD11B1 (0.47) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL9982588 0.86 HSD11B1 (0.60) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL27829893 0.82 HSD11B1 (0.47) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3663624 0.79 KMT2A (0.49) HSD11B1MAPTALDH1A1TSHRLMNA
SCHEMBL3664638 0.78 HSD11B1 (0.45) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3662769 0.78 HSD11B1 (0.45) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3664800 0.77 HSD11B1 (0.56) HSD11B1MAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL975783 0.77 HSD11B1 (0.59) HSD11B1MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL3663703 0.77 HSD11B1 (0.59) HSD11B1MAPTNPSR1SMN1; SMN2ALDH1A1

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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN 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
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN 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 2913/4885MAPT 1302/4885NPSR1 4043/4885

“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.