SCHEMBL3660269

SCHEMBL3660269

O=C(O)N1CCN(c2ccc(N3CCC(F)(F)CC3)cc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
HDAC4 P56524 1/20 0.46
MGLL Q99685 1/20 0.39
USP2 O75604 4/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 5/20 0.38
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLA2G1B P04054 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
SCHEMBL9982587 0.85 HSD11B1 (0.63) HSD11B1HDAC4MGLLKMT2ANPC1
SCHEMBL9982199 0.84 HSD11B1 (0.48) HSD11B1USP2ALDH1A1MAPK1HPGD
SCHEMBL3664800 0.82 HSD11B1 (0.56) HSD11B1HDAC4ALDH1A1CYP2C19CYP2C9
SCHEMBL3660276 0.81 HSD11B1 (0.47) HSD11B1USP2ALDH1A1HPGDHSD17B10
SCHEMBL3662166 0.81 ALDH1A1 (0.55) HSD11B1USP2ALDH1A1HSD17B10TSHR
SCHEMBL9982392 0.80 KDM4E (0.52) HSD11B1HDAC4USP2ALDH1A1HPGD
SCHEMBL3657790 0.80 HSD11B1 (0.52) HSD11B1HDAC4USP2ALDH1A1HPGD
SCHEMBL974217 0.79 HSD11B1 (0.44) HSD11B1USP2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3664488 0.79 HSD11B1 (0.46) HSD11B1USP2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3663546 0.78 HSD11B1 (0.47) HSD11B1HDAC4USP2ALDH1A1MAPK1

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 2913/4885HDAC4 2832/4885MGLL 2697/4885

“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.