SCHEMBL4473083

SCHEMBL4473083

CCCCOC(=O)NC1CN(OC(C)=O)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NAAA Q02083 2/20 0.41
EPHX1 P07099 3/20 0.39
ACHE P22303 6/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 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
SCHEMBL18950347 0.81 GAA (0.54) GAAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL4719490 0.77 GAA (0.59) GAAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL13387564 0.77 GAA (0.59) GAAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL28019672 0.75 GAA (0.54) GAAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL26677284 0.74 EPHX1 (0.59) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL1827279 0.74 EPHX1 (0.64) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL22801974 0.73 GAA (0.51) GAAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL3332407 0.73 NAAA (0.52) GAAMAPK1HTTSMN1; SMN2NAAA
SCHEMBL2801497 0.73 EPHX1 (0.67) GAAMAPK1HTTSMN1; SMN2EPHX1
Acetic Acid SCHEMBL4473079 0.73 NAAA (0.49) GAAMAPK1HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US disclosed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 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-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain TRPV1, UTS2R, OPRL1 GAA 4060/4885MAPK1 3052/4885HTT 3062/4885

“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.