SCHEMBL4435825

SCHEMBL4435825

CC(C(=O)c1cccc(F)c1)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
CHRNB2 P17787 1/20 0.54
SLC6A2 P23975 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PARP1 P09874 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLA2G7 Q13093 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PIK3CD O00329 1/20 0.42

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
SCHEMBL9512907 0.87 HRH1 (0.47) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8015553 0.82 CES2 (0.61) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL27974641 0.81 CES2 (0.53) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL32662585 0.81 SLC6A2 (0.53) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599161 0.80 CES2 (0.64) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL15007480 0.80 CES2 (0.64) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL5883596 0.80 CES2 (0.59) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL769582 0.79 SLC6A2 (0.56) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL8697304 0.79 CES2 (0.50) CES2CES1CHRNB2SLC6A2CHRNB4
SCHEMBL312334 0.79 CES2 (0.57) CES2CES1CHRNB2SLC6A2CHRNB4

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 CES2 1914/4885CES1 1861/4885CHRNB2 468/4885

“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.