SCHEMBL4496185

SCHEMBL4496185

O=C(O)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.68
DRD4 P21917 13/20 0.59
SIGMAR1 Q99720 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
DRD3 P35462 2/20 0.51
LMNA P02545 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRA2B P18089 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
CYP2D6 P10635 1/20 0.47

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
SCHEMBL3922376 1.00 CCR3 (0.68) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL5771404 0.92 CCR3 (0.79) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL30211803 0.90 CCR3 (0.67) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1810572 0.90 CCR3 (0.67) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1810573 0.90 CCR3 (0.67) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL24087485 0.90 CCR3 (0.73) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL4226628 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1808369 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL1808367 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL30211801 0.89 CCR3 (0.66) CCR3DRD4SIGMAR1CYP1A2CYP3A4

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
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-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US 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 (2 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-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 CCR3 39/4885DRD4 1474/4885SIGMAR1 1251/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 CCR3 1/4885DRD4 1757/4885SIGMAR1 128/4885

“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.