SCHEMBL5077141

SCHEMBL5077141

O=C(NCC1CCOCC1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
GSK3B P49841 1/20 0.55
KCNH2 Q12809 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NAMPT P43490 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ROCK2 O75116 1/20 0.51
EGLN1 Q9GZT9 1/20 0.50
PKM P14618 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
DPP4 P27487 1/20 0.49
PREP P48147 1/20 0.49
FAP Q12884 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL22583343 0.90 THRB (0.64) THRBSMN1; SMN2ALDH1A1PKMCACNA1I
SCHEMBL3429186 0.86 ALDH1A1 (0.62) THRBSMN1; SMN2ALDH1A1ROCK2PKM
SCHEMBL4179469 0.86 ALDH1A1 (0.62) THRBSMN1; SMN2ALDH1A1ROCK2PKM
SCHEMBL27793820 0.84 THRB (0.56) THRBSMN1; SMN2ALDH1A1PKMCACNA1I
SCHEMBL18118413 0.84 THRB (0.56) THRBSMN1; SMN2ALDH1A1PKMCACNA1I
SCHEMBL6982830 0.84 RORC (0.63) THRBSMN1; SMN2NAMPTALDH1A1PKM
SCHEMBL15389532 0.83 NAMPT (0.62) SMN1; SMN2NAMPTROCK2PKMMEN1
SCHEMBL6637236 0.79 THRB (0.54) THRBSMN1; SMN2ALDH1A1ROCK2PKM
SCHEMBL6637237 0.79 THRB (0.54) THRBSMN1; SMN2ALDH1A1ROCK2PKM
SCHEMBL5553367 0.79 HPGD (0.71) SMN1; SMN2NAMPTALDH1A1ROCK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A THRB 1118/4885GSK3B 752/4885KCNH2 3641/4885

“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.