SCHEMBL2200564

SCHEMBL2200564

CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
SLC5A1 P13866 3/20 0.38
ELANE P08246 2/20 0.38
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DGAT1 O75907 1/20 0.37
SOAT1 P35610 1/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
NPY5R Q15761 1/20 0.36
CHRM4 P08173 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE4B Q07343 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
SCHEMBL2199422 0.85 SCN9A (0.45) SCN9ASLC5A1ELANEPDE4DALDH1A1
SCHEMBL2199932 0.83 PDE4D (0.49) SCN9ASLC5A1ELANEPDE4DALDH1A1
SCHEMBL2199120 0.82 NPY5R (0.41) SCN9ASLC5A1ELANEPDE4DALDH1A1
SCHEMBL2200865 0.80 SCN9A (0.42) SCN9ASLC5A1ELANEHSD17B10DGAT1
SCHEMBL2200842 0.77 NPSR1 (0.43) SCN9ASLC5A1ELANEALDH1A1NPSR1
SCHEMBL2201758 0.77 SCN9A (0.42) SCN9ASLC5A1ELANEHSD17B10DGAT1
SCHEMBL2200720 0.76 ALDH1A1 (0.49) SCN9ASLC5A1ELANEPDE4DALDH1A1
SCHEMBL2198847 0.74 NOTUM (0.47) SCN9ASLC5A1NPSR1POLBNOTUM
SCHEMBL27810012 0.73 NOTUM (0.45) SCN9ASLC5A1NOTUMNPY5RCHRM4
SCHEMBL2200430 0.72 MAPT (0.49) ELANEPDE4DALDH1A1NPSR1SMN1; SMN2

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 SCN9A 3692/4885SLC5A1 896/4885ELANE 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.