SCHEMBL4474051

SCHEMBL4474051

O=C(O)N(CC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.48
CCR3 P51677 1/20 0.46
KCNJ1 P48048 2/20 0.44
CCR2 P41597 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACHE P22303 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5618649 1.00 DRD4 (0.48) DRD4CCR3KCNJ1CCR2ALDH1A1
SCHEMBL4487605 1.00 DRD4 (0.48) DRD4CCR3KCNJ1CCR2ALDH1A1
Hydrochloric Acid SCHEMBL5618667 0.99 DRD4 (0.48) DRD4CCR3KCNJ1CCR2ALDH1A1
SCHEMBL7023395 0.95 DRD4 (0.48) DRD4CCR3KCNJ1CCR2ALDH1A1
SCHEMBL4481896 0.88 DRD4 (0.49) DRD4KCNJ1ALDH1A1MAPTLMNA
SCHEMBL4492316 0.84 DRD4 (0.42) DRD4KCNJ1ALDH1A1MAPTLMNA
SCHEMBL5832174 0.79 KDM4E (0.58) DRD4CCR3KCNJ1ALDH1A1MAPT
SCHEMBL3093945 0.76 DRD4 (0.54) DRD4CCR3CCR2ALDH1A1SMN1; SMN2
SCHEMBL5618636 0.74 KCNJ1 (0.43) DRD4CCR3KCNJ1CCR2ALDH1A1
SCHEMBL4487597 0.74 KCNJ1 (0.43) DRD4CCR3KCNJ1CCR2ALDH1A1

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-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
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
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US 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 DRD4 1474/4885CCR3 39/4885KCNJ1 4266/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 DRD4 1757/4885CCR3 1/4885KCNJ1 2059/4885

“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.