SCHEMBL8513019

SCHEMBL8513019

C[Si](C)(C)CN1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)nc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.68
HSD11B2 P80365 1/20 0.44
HDAC1 Q13547 1/20 0.39
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.34

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
SCHEMBL3716695 0.87 HSD11B1 (0.61) HSD11B1HSD11B2HDAC1KMT2A
SCHEMBL3665770 0.87 HSD11B1 (0.61) HSD11B1HSD11B2HDAC1KMT2ANPC1
SCHEMBL3662022 0.86 HSD11B1 (0.77) HSD11B1HSD11B2KMT2AALDH1A1MEN1
SCHEMBL3668895 0.85 HSD11B1 (0.59) HSD11B1HSD11B2HDAC1
SCHEMBL3662780 0.84 HSD11B1 (0.61) HSD11B1HSD11B2HDAC1
SCHEMBL3662227 0.84 HSD11B1 (0.67) HSD11B1HSD11B2HDAC1
SCHEMBL3668822 0.84 HSD11B1 (0.66) HSD11B1HSD11B2NPC1RAB9AALDH1A1
SCHEMBL3659681 0.83 HSD11B1 (0.62) HSD11B1HSD11B2KMT2AALDH1A1
SCHEMBL3664798 0.83 HSD11B1 (0.58) HSD11B1HSD11B2HDAC1KMT2AALDH1A1
SCHEMBL3715925 0.83 HSD11B1 (0.64) HSD11B1HSD11B2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459549-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP claimed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US claimed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US claimed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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 (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-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 HSD11B1 1963/4885HSD11B2 1686/4885HDAC1 1306/4885

“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.