SCHEMBL2199120

SCHEMBL2199120

CCOC(=O)c1c(CNC(C)=O)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
SCN9A Q15858 1/20 0.41
ELANE P08246 2/20 0.40
SLC5A1 P13866 4/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
NOTUM Q6P988 1/20 0.38
ACACB O00763 1/20 0.38
PIM1 P11309 1/20 0.38
EPHX2 P34913 1/20 0.37
PDE4D Q08499 2/20 0.37
PDE4B Q07343 1/20 0.37
USP7 Q93009 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL2199422 0.87 SCN9A (0.45) NPY5RSCN9AELANESLC5A1ALDH1A1
SCHEMBL2199932 0.85 PDE4D (0.49) NPY5RSCN9AELANESLC5A1ALDH1A1
SCHEMBL2201876 0.82 SLC6A4 (0.38) NPY5RSCN9ANOTUMACACBPIM1
SCHEMBL2200564 0.82 SCN9A (0.44) NPY5RSCN9AELANESLC5A1ALDH1A1
SCHEMBL2200720 0.80 ALDH1A1 (0.49) NPY5RSCN9AELANESLC5A1ALDH1A1
SCHEMBL2200842 0.79 NPSR1 (0.43) SCN9AELANESLC5A1ALDH1A1TP53
SCHEMBL2201758 0.79 SCN9A (0.42) NPY5RSCN9AELANESLC5A1ALDH1A1
SCHEMBL2203173 0.77 NPY5R (0.45) NPY5RSLC5A1NOTUMACACBPIM1
SCHEMBL2198847 0.76 NOTUM (0.47) NPY5RSCN9ASLC5A1POLBNOTUM
SCHEMBL27810012 0.75 NOTUM (0.45) NPY5RSCN9ASLC5A1NOTUM

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 NPY5R 277/4885SCN9A 3692/4885ELANE 791/4885

“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.