SCHEMBL4435864

SCHEMBL4435864

CC(C(=O)c1ccc(F)c(F)c1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
CHRNB1 P11230 1/20 0.55
CHRNB2 P17787 1/20 0.55
SLC6A2 P23975 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
SLC6A3 Q01959 1/20 0.55
CHRND Q07001 1/20 0.55
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3860137 0.81 CHRNA1 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3427030 0.79 CA1 (0.47) SLC6A2SLC6A3CES2CES1MEN1
SCHEMBL6955765 0.79 CES2 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9227046 0.78 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL31440784 0.78 CA1 (0.45) SLC6A2SLC6A3CES2CES1MEN1
SCHEMBL634189 0.78 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4435825 0.77 CES2 (0.54) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL9512907 0.77 HRH1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10762807 0.76 CHRNA1 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5954215 0.76 TRPA1 (0.49) CES2CES1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 CHRNA1 246/4885CHRNG 297/4885CHRNB1 360/4885

“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.