SCHEMBL4800992

SCHEMBL4800992

CN(C)c1ccnc(OC2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.46
ROCK1 Q13464 4/20 0.42
HRH1 P35367 3/20 0.39
IKBKB O14920 3/20 0.39
SYK P43405 2/20 0.39
CHUK O15111 2/20 0.36
ROCK2 O75116 2/20 0.36
CDC42BPB Q9Y5S2 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
LCK P06239 1/20 0.34
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PRKCZ Q05513 2/20 0.33
CDC42BPA Q5VT25 1/20 0.33

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
SCHEMBL30775269 0.92 CHRNB2 (0.43) IRAK4ROCK1CHUKROCK2PRKCZ
SCHEMBL29003898 0.80 IRAK4 (0.49) IRAK4ROCK1HRH1IKBKBSYK
SCHEMBL30422551 0.80 IRAK4 (0.49) IRAK4ROCK1HRH1IKBKBSYK
SCHEMBL30775199 0.79 IRAK4 (0.44) IRAK4ROCK1CHUKROCK2PRKCZ
SCHEMBL13920500 0.78 IRAK4 (0.50) IRAK4ROCK1HRH1IKBKBSYK
SCHEMBL29003863 0.77 IRAK4 (0.49) IRAK4ROCK1HRH1IKBKBSYK
SCHEMBL30422003 0.77 IRAK4 (0.49) IRAK4ROCK1HRH1IKBKBSYK
SCHEMBL940757 0.73 SYK (0.51) IRAK4ROCK1HRH1IKBKBSYK
SCHEMBL759186 0.73 HRH1 (0.52) IRAK4ROCK1HRH1IKBKBSYK
Hydrochloric Acid SCHEMBL2447452 0.72 HRH1 (0.50) IRAK4ROCK1HRH1IKBKBSYK

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
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
EP-1119568-B1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use FREYNE EDDY JEAN EDGARD (BE) 2004-01-29 US disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 US disclosed
EP-1119568-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 EP disclosed
WO-2000021959-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-20 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-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use CBR1, CYP2D6, HSD3B1 IRAK4 2675/4885ROCK1 1958/4885HRH1 132/4885

“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.