SCHEMBL1858987

SCHEMBL1858987

O=C(N1CCC(c2cccnc2)C1)N1CCCc2cccc(O)c21

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.65
SPR P35270 1/20 0.50
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
RORC P51449 2/20 0.44
NAMPT P43490 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APLNR P35414 1/20 0.40
P2RX1 P51575 1/20 0.39

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
SCHEMBL1854468 0.79 HSD11B1 (0.80) HSD11B1PRMT5WDR77POLBHSD17B10
SCHEMBL1856520 0.78 HSD11B1 (0.68) HSD11B1SPRPRMT5WDR77RORC
SCHEMBL1854822 0.76 HSD11B1 (0.65) HSD11B1SPRHSD17B10
SCHEMBL10568480 0.74 POLB (0.67) HSD11B1POLBHSD17B10P2RX1
SCHEMBL1856983 0.74 HSD11B1 (0.63) HSD11B1SPRPRMT5WDR77RORC
SCHEMBL1862130 0.73 HSD11B1 (0.65) HSD11B1SPRRORCNAMPTPOLB
SCHEMBL1860075 0.73 HSD11B1 (0.61) HSD11B1SPR
SCHEMBL1855531 0.73 HSD11B1 (0.61) HSD11B1SPRRORC
SCHEMBL1856848 0.73 HSD11B1 (0.71) HSD11B1POLBHSD17B10
SCHEMBL1856847 0.73 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 1/4885SPR 281/4885PRMT5 251/4885

“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.