SCHEMBL2199932

SCHEMBL2199932

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.49
PDE4B Q07343 2/20 0.48
SCN9A Q15858 2/20 0.45
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOTUM Q6P988 1/20 0.43
ELANE P08246 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
SLC34A1 Q06495 2/20 0.42
NPY5R Q15761 1/20 0.41
SLC5A1 P13866 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40

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
SCHEMBL2200430 0.89 MAPT (0.49) PDE4DPDE4BALDH1A1NPSR1ELANE
SCHEMBL2198847 0.88 NOTUM (0.47) SCN9ANPSR1NOTUMPOLBNPY5R
SCHEMBL2199422 0.88 SCN9A (0.45) PDE4DPDE4BSCN9AALDH1A1NPSR1
SCHEMBL2199384 0.86 PDE4D (0.67) PDE4DPDE4BALDH1A1NPSR1SLC34A1
SCHEMBL2200842 0.86 NPSR1 (0.43) SCN9AALDH1A1NPSR1NOTUMELANE
SCHEMBL2201758 0.85 SCN9A (0.42) PDE4DPDE4BSCN9AALDH1A1NPSR1
SCHEMBL2199120 0.85 NPY5R (0.41) PDE4DPDE4BSCN9AALDH1A1NPSR1
SCHEMBL2200720 0.84 ALDH1A1 (0.49) PDE4DPDE4BSCN9AALDH1A1NPSR1
SCHEMBL2200564 0.83 SCN9A (0.44) PDE4DPDE4BSCN9AALDH1A1NPSR1
SCHEMBL2202684 0.81 KMT2A (0.44) SCN9ANOTUMNPY5RSLC5A1SCN10A

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 PDE4D 814/4885PDE4B 607/4885SCN9A 3692/4885

“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.