SCHEMBL8513844

SCHEMBL8513844

O=C(O)N1CCN(c2ccc(Br)cn2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.54
HDAC1 Q13547 1/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HSD11B2 P80365 1/20 0.35
PANK3 Q9H999 1/20 0.35

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
SCHEMBL30673842 0.84 HSD11B1 (0.54) HSD11B1HDAC1PPARGHSD11B2
SCHEMBL974575 0.82 HDAC1 (0.43) HSD11B1HDAC1PPARGPPARDPPARA
SCHEMBL8511324 0.78 HSD11B1 (0.65) HSD11B1HDAC1SMN1; SMN2HSD11B2
SCHEMBL8511563 0.78 HSD11B1 (0.65) HSD11B1HDAC1ALDH1A1TSHRHSD11B2
SCHEMBL3662022 0.78 HSD11B1 (0.77) HSD11B1AKR1C3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10297226 0.77 GRIN2D (0.44) HSD11B1HDAC1GRIN2DGRIN3BGRIN1
SCHEMBL9982812 0.77 HSD11B1 (0.64) HSD11B1HDAC1KDM4EHSD11B2
SCHEMBL3664472 0.77 HSD11B1 (0.63) HSD11B1SMN1; SMN2HSD11B2
SCHEMBL9982587 0.76 HSD11B1 (0.63) HSD11B1HDAC1HSD11B2
SCHEMBL3668822 0.76 HSD11B1 (0.66) HSD11B1ALDH1A1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536173-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11-B-hydroxysteroid dehydrogenase type I SANOFI (FR) 2013-09-17 US disclosed
US-8530473-B2 Tetrahydroquinoxaline urea derivatives as modulators of 11β-hydroxysteroid dehydrogenase type 1 SANOFI (FR) 2013-09-10 US disclosed
US-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-06-28 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 (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-20120165337-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NR2C2, CBR3, NR0B2 HSD11B1 1172/4885HDAC1 1584/4885GRIN2D 706/4885
US-20120135958-A1 TETRAHYDROQUINOXALINE UREA DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CBR3, CBR1, OXGR1 HSD11B1 1963/4885HDAC1 1306/4885GRIN2D 830/4885

“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.