SCHEMBL974024

SCHEMBL974024

N[C@@H]1C2CC3C[C@H]1C[C@@](C(=O)O)(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.40
HSD11B2 P80365 5/20 0.40
DGAT1 O75907 5/20 0.36
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL329023 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL1844594 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL12579136 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL12693260 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL12696579 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL1844823 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL1844825 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL974023 1.00 HSD11B1 (0.40) HSD11B1HSD11B2DGAT1THRBCYP2C9
Hydrochloric Acid SCHEMBL2823637 0.98 HSD11B1 (0.39) HSD11B1HSD11B2DGAT1THRBCYP2C9
SCHEMBL3644747 0.87 HSD11B1 (0.43) HSD11B1HSD11B2DGAT1HTTALDH1A1

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 14 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 disclosed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-8530657-B2 Substituted adamantanes and their therapeutic application SANOFI (FR) 2013-09-10 US disclosed
US-8530477-B2 Tropane urea derivatives, preparation thereof and therapeutic application thereof as modulators of the activity of 11betaHSD1 SANOFI (FR) 2013-09-10 US disclosed
EP-2364311-B1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI SA (FR) 2013-07-03 EP 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
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US disclosed
US-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2011-12-01 US disclosed
EP-2364311-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI (FR) 2011-09-14 EP disclosed
US-20110009391-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2010049635-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2010-05-06 WO 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 (4 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 4293/4885HSD11B2 4431/4885DGAT1 1785/4885
US-20120245148-A1 TETRAHYDROQUINOXALINE UERA DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION UGDH, HNMT, NNMT HSD11B1 2913/4885HSD11B2 3024/4885DGAT1 1137/4885
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 HSD11B1 1963/4885HSD11B2 1686/4885DGAT1 3178/4885
US-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 HSD11B1, HSD17B1, HSD17B11 HSD11B1 1/4885HSD11B2 5/4885DGAT1 1440/4885

“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.