SCHEMBL4483503

SCHEMBL4483503

[c]1nnc(CN2CCOCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.36
CYP2A13 Q16696 5/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL2135315 0.67 KDM4E (0.37) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL1110165 0.67 CXCR4 (0.41) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL13631416 0.67 SMN1; SMN2 (0.43) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL15703566 0.67 PIK3CG (0.42) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL5216018 0.67 HRH3 (0.43) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL11685688 0.66 ALDH1A1 (0.41) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL21099545 0.64 KDM4E (0.43) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL17080613 0.64 HRH3 (0.52) CXCR4HRH3ALDH1A1CYP2C9ALOX15
SCHEMBL23023786 0.63 PIK3CG (0.42) CXCR4HRH3ALDH1A1MEN1KMT2A
SCHEMBL30438943 0.63 CXCR4 (0.44) CXCR4HRH3ALDH1A1CYP2C9ALOX15

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-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP claimed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US claimed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF 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-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 CXCR4 218/4885HRH3 606/4885ALDH1A1 2920/4885

“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.