SCHEMBL4474932

SCHEMBL4474932

CC(c1ccc(Cl)c(Cl)c1)N1CCO[C@H](N(C)C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
TACR2 P21452 5/20 0.42
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
OGA O60502 1/20 0.38
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 1/20 0.37
AVPR1A P37288 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4474929 0.78 CCR2 (0.48) SLC6A3SLC6A2SLC6A4TACR2CCR2
SCHEMBL4144033 0.75 PKM (0.55)
SCHEMBL4496189 0.75 DRD4 (0.51) KCNH2CCR5ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4480281 0.72 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4CCR2KCNH2
SCHEMBL31669101 0.66 SLC6A3 (0.55) SLC6A3SLC6A2SLC6A4OGAALDH1A1
SCHEMBL3704355 0.65 PTGS1 (0.50) SLC6A3SLC6A2SLC6A4OGAALDH1A1
SCHEMBL22206745 0.65 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4OGAALDH1A1
SCHEMBL22206766 0.65 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4OGAALDH1A1
SCHEMBL29585835 0.65 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4OGAALDH1A1
SCHEMBL29585404 0.65 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4OGAALDH1A1

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 11 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
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 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 SLC6A3 4776/4885SLC6A2 4758/4885SLC6A4 4685/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 SLC6A3 1493/4885SLC6A2 3162/4885SLC6A4 3144/4885

“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.