SCHEMBL3662769

SCHEMBL3662769

O=C(O)N1CCN(c2ccc(N3CCN(CC(F)(F)F)CC3)cc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
HTR6 P50406 4/20 0.42
MAPK1 P28482 1/20 0.41
HTR1A P08908 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
REV1 Q9UBZ9 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR7 P34969 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL3662780 0.86 HSD11B1 (0.61) HSD11B1HTR6
SCHEMBL3661647 0.82 HSD11B1 (0.43) HSD11B1MAPK1HSD17B10
SCHEMBL3663446 0.80 HSD11B1 (0.45) HSD11B1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3664035 0.79 HTR1A (0.46) HSD11B1HTR1AALDH1A1HTR7
SCHEMBL3663546 0.79 HSD11B1 (0.47) HSD11B1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3664800 0.78 HSD11B1 (0.56) HSD11B1ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL27829893 0.78 HSD11B1 (0.47) HSD11B1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3662110 0.78 HSD11B1 (0.45) HSD11B1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3660269 0.78 HSD11B1 (0.46) HSD11B1MAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3662166 0.77 ALDH1A1 (0.55) HSD11B1HTR6HTR1AALDH1A1USP2

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 8 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-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 2913/4885HTR6 889/4885MAPK1 3922/4885

“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.