Sugi Predict

Sugi Predict / Compounds / SCHEMBL4017277

SCHEMBL4017277

SCHEMBL4017277

CN(CCCCCCCCCN(C(N)=O)C12CC3CC(CC(C3)C1)C2)CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL4016039 0.87 EPHX2 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL653294 0.82 CNR2 (0.45) CNR2MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4015364 0.79 EPHX2 (0.42) CNR2MAPTSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL4010916 0.78 CNR2 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4012362 0.75 SMN1; SMN2 (0.33) CNR2MAPTSMN1; SMN2ALDH1A1EPHX2
SCHEMBL4009862 0.75 EPHX2 (0.51) CNR2EPHX2
SCHEMBL4017218 0.75 EPHX2 (0.32) CNR2MAPTSMN1; SMN2ALDH1A1EPHX2
SCHEMBL4011003 0.74 EPHX2 (0.38) MEN1KMT2AEPHX2
SCHEMBL4010390 0.74 EPHX1 (0.31) CNR2ALDH1A1TSHR
SCHEMBL4012098 0.73 MAPT (0.40) MAPTALDH1A1

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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 — — US claimed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 — — US disclosed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG GRIN2D 4839/4885GRIN3B 4444/4885GRIN1 4108/4885

“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.