SCHEMBL4485226

SCHEMBL4485226

CC(c1ccc(F)c(F)c1)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.40
MCHR1 Q99705 1/20 0.38
ACKR3 P25106 1/20 0.38
OGA O60502 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
KDM4D Q6B0I6 2/20 0.36
CACNA1H O95180 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
SCHEMBL4494019 0.81 HTT (0.40) MCHR1
SCHEMBL29629129 0.76 HCRTR2 (0.37) RORCACKR3CACNA1H
SCHEMBL4481315 0.76 MAPK1 (0.38) MCHR1ACKR3OGACACNA1H
SCHEMBL13631398 0.76 HRH3 (0.38) OGA
Hydrochloric Acid SCHEMBL4478909 0.75 HRH3 (0.38) OGA
SCHEMBL4474137 0.74 DRD4 (0.55) RORCMCHR1CACNA1H
SCHEMBL6265631 0.74 DRD4 (0.55) RORCMCHR1CACNA1H
SCHEMBL4474929 0.72 CCR2 (0.48) OGA
SCHEMBL6649229 0.72 KCNQ2 (0.49) RORC
SCHEMBL6648883 0.71 KCNA5 (0.43)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
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 RORC 622/4885MCHR1 670/4885ACKR3 75/4885

“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.