SCHEMBL1856983

SCHEMBL1856983

COC(=O)c1ccc2c(c1)CCCN2C(=O)N1CCC(c2cccnc2)C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.63
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
NAMPT P43490 1/20 0.43
SPR P35270 1/20 0.43
RORC P51449 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL1856520 0.90 HSD11B1 (0.68) HSD11B1PDK1PDK2PDK3PDK4
SCHEMBL1854822 0.87 HSD11B1 (0.65) HSD11B1PDK1PDK2PDK3PDK4
SCHEMBL3932743 0.84 HSD11B1 (0.48) HSD11B1ALDH1A1POLB
SCHEMBL1855963 0.83 HSD11B1 (0.54) HSD11B1NAMPTSPRALDH1A1POLB
SCHEMBL1860075 0.82 HSD11B1 (0.61) HSD11B1SPRALDH1A1
SCHEMBL1855531 0.81 HSD11B1 (0.61) HSD11B1SPRRORCALDH1A1
SCHEMBL1854468 0.78 HSD11B1 (0.80) HSD11B1POLBHSD17B10PRMT5WDR77
SCHEMBL1854585 0.77 HSD11B1 (0.60) HSD11B1SPRRORCPRMT5WDR77
SCHEMBL1858987 0.74 HSD11B1 (0.65) HSD11B1NAMPTSPRRORCPOLB
SCHEMBL1856848 0.74 HSD11B1 (0.71) HSD11B1POLBHSD17B10

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-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2044057-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE Sanofi-Aventis (FR) 2009-04-08 EP disclosed
WO-2008000950-A2 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2008-01-03 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 (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-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C HSD11B1 1/4885PDK1 131/4885PDK2 322/4885

“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.