SCHEMBL5111754

SCHEMBL5111754

CC(C)(C)OC(=O)NCc1cccc(CN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.52
ALDH1A1 P00352 2/20 0.50
NCF1 P14598 1/20 0.50
ROCK2 O75116 1/20 0.49
MAPK14 Q16539 1/20 0.49
TSHR P16473 1/20 0.47
NOS1 P29475 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.46
GLS O94925 2/20 0.46
ABL1 P00519 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13293669 0.88 ROCK2 (0.55) ROCK2GLSNPFFR1NPFFR2
SCHEMBL3090173 0.88 TSHR (0.59) ALDH1A1TSHRHTTKDM4EUSP2
SCHEMBL30422422 0.82 TSHR (0.53) ALDH1A1TSHRKMT2A
SCHEMBL16784886 0.81 AOC3 (0.50) ROCK2GLSTAS2R8
SCHEMBL6573406 0.81 ADORA2A (0.49) ADORA2AALDH1A1NCF1MAPK14TSHR
SCHEMBL16785090 0.80 AOC3 (0.56) KDM4ECD274
SCHEMBL18756965 0.80 AOC3 (0.47) ROCK2GLSTAS2R8
SCHEMBL4721631 0.79 SMN1; SMN2 (0.54) ALDH1A1HTTABL1KCNH2CD274
SCHEMBL16784888 0.79 AOC3 (0.59) ROCK2
SCHEMBL3346015 0.79 GLS (0.54) GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396843-B2 5′-carbamoyl-1,1′-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-08 US disclosed
US-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-02-17 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 (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-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP4K2, MAP3K1 ADORA2A 3113/4885ALDH1A1 1075/4885NCF1 1197/4885

“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.