SCHEMBL5832728

SCHEMBL5832728

CC(=O)Nc1cccc(CC(=O)NCC2CN(Cc3cccc(Cl)c3)CCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
ACKR3 P25106 2/20 0.48
DRD4 P21917 3/20 0.48
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
CCR3 P51677 1/20 0.45
KCNQ2 O43526 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 2/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR2 Q969V1 1/20 0.41

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
SCHEMBL5832894 0.93 DRD4 (0.48) EPHX2DRD4MAPTTP53HTT
SCHEMBL5833187 0.92 CCR3 (0.54) EPHX2DRD4MAPTHTTSIGMAR1
SCHEMBL5832887 0.90 DRD4 (0.47) EPHX2ACKR3DRD4MAPTSIGMAR1
SCHEMBL5832881 0.90 SIGMAR1 (0.49) EPHX2DRD4MAPTSIGMAR1CCR3
SCHEMBL6185377 0.90 KCNH2 (0.48) EPHX2ACKR3DRD4SIGMAR1CCR3
SCHEMBL5833120 0.87 ACKR3 (0.46) EPHX2ACKR3DRD4SIGMAR1CCR3
SCHEMBL5832809 0.87 EPHX2 (0.45) EPHX2ACKR3DRD4MAPTTP53
SCHEMBL4021803 0.86 CCR3 (0.59) DRD4HTTSIGMAR1CCR3
SCHEMBL5832903 0.84 TP53 (0.49) EPHX2DRD4MAPTTP53HTT
SCHEMBL5832699 0.84 DRD4 (0.48) EPHX2DRD4MAPTTP53HTT

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
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP claimed
US-7101882-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2006-09-05 US claimed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US claimed
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP 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-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL EPHX2 1092/4885ACKR3 347/4885DRD4 3922/4885

“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.