SCHEMBL977393

SCHEMBL977393

COc1ccc(-c2cnc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)c4ccccc43)nc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.71
LMNA P02545 4/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.46
CNR2 P34972 3/20 0.44
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
FAAH O00519 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL975195 0.84 HSD11B1 (0.81) HSD11B1EPHX2
SCHEMBL973237 0.83 HSD11B1 (1.00) HSD11B1
SCHEMBL973768 0.83 HSD11B1 (1.00) HSD11B1
SCHEMBL3664854 0.80 HSD11B1 (0.60) HSD11B1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL975065 0.74 LMNA (0.44) HSD11B1LMNAGAAHTTCNR2
SCHEMBL973876 0.74 HSD11B1 (0.84) HSD11B1
SCHEMBL975588 0.74 HSD11B1 (0.84) HSD11B1
SCHEMBL3658246 0.74 ALDH1A1 (0.48) HSD11B1LMNAHTTCNR2EPHX2
SCHEMBL975332 0.73 CNR2 (0.45) HSD11B1LMNAGAAHTTCNR2
SCHEMBL16207937 0.73 HSD11B1 (0.62) HSD11B1LMNAGAAEPHX2ALDH1A1

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 6 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
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION BHMT, UGDH, NNMT HSD11B1 4293/4885LMNA 2488/4885GAA 1427/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885LMNA 1647/4885GAA 353/4885

“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.