SCHEMBL9948714

SCHEMBL9948714

CONC(=O)C12CC3CC(C1)C(N)C(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
LMNA P02545 3/20 0.40
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
CNR2 P34972 1/20 0.38
STS P08842 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL13527520 0.86 GLA (0.61) GLAEPHX2ALDH1A1HTTCRHBP
SCHEMBL1896218 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL12578570 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL1161063 0.83 THRB (0.47) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL1844621 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL1844624 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL1844620 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL13579581 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
SCHEMBL328838 0.83 GLA (0.42) GLAALDH1A1HTTCRHBPCRHR2
Methyl Alcohol SCHEMBL5319479 0.81 HSD11B1 (0.41) GLAALDH1A1HTTCRHBPCRHR2

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-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP claimed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US claimed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 US claimed
EP-2459548-B1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-19 EP disclosed
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 GLA 4545/4885EPHX2 2241/4885ALDH1A1 2230/4885

“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.