SCHEMBL5833422

SCHEMBL5833422

O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.54
SIGMAR1 Q99720 3/20 0.52
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
DRD4 P21917 4/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CCR2 P41597 1/20 0.44
MEN1 O00255 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
SCHEMBL5832174 0.91 KDM4E (0.58) CCR3SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4028498 0.88 CCR3 (0.66) CCR3SIGMAR1ALDH1A1LMNADRD4
SCHEMBL4021803 0.87 CCR3 (0.59) CCR3SIGMAR1DRD4
SCHEMBL4024938 0.86 CCR3 (0.62) CCR3SIGMAR1ALDH1A1DRD4
SCHEMBL5832441 0.86 CCR3 (0.60) CCR3SIGMAR1ALDH1A1LMNADRD4
SCHEMBL4024792 0.86 CCR3 (0.57) CCR3SIGMAR1LMNADRD4MEN1
SCHEMBL7086085 0.86 CCR3 (0.57) CCR3SIGMAR1ALDH1A1KDM4ELMNA
SCHEMBL4027381 0.85 CCR3 (0.59) CCR3SIGMAR1ALDH1A1LMNADRD4
SCHEMBL4023012 0.84 CCR3 (0.56) CCR3SIGMAR1LMNADRD4MEN1
SCHEMBL4031365 0.84 CCR3 (0.61) CCR3SIGMAR1ALDH1A1LMNADRD4

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 9 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
JP-2006504625-A 2006-02-09 JP claimed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP claimed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US claimed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP disclosed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 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-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL CCR3 7/4885SIGMAR1 99/4885ALDH1A1 3130/4885

“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.