SCHEMBL2199422

SCHEMBL2199422

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.45
ELANE P08246 2/20 0.42
NOTUM Q6P988 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
SLC5A1 P13866 3/20 0.39
NPY5R Q15761 1/20 0.39
PDE4D Q08499 2/20 0.39
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KLKB1 P03952 1/20 0.38
PIM1 P11309 1/20 0.38
MAPT P10636 2/20 0.37
APP P05067 1/20 0.37
ADORA1 P30542 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL27810012 0.88 NOTUM (0.45) SCN9ANOTUMSLC5A1NPY5RKLKB1
SCHEMBL2199932 0.88 PDE4D (0.49) SCN9AELANENOTUMTP53POLB
SCHEMBL2199120 0.87 NPY5R (0.41) SCN9AELANENOTUMTP53POLB
SCHEMBL2200564 0.85 SCN9A (0.44) SCN9AELANENOTUMTP53POLB
SCHEMBL2200842 0.82 NPSR1 (0.43) SCN9AELANENOTUMTP53POLB
SCHEMBL2201758 0.81 SCN9A (0.42) SCN9AELANENOTUMTP53POLB
SCHEMBL2200720 0.81 ALDH1A1 (0.49) SCN9AELANENOTUMTP53POLB
SCHEMBL2198847 0.79 NOTUM (0.47) SCN9ANOTUMPOLBSLC5A1NPY5R
SCHEMBL2200430 0.77 MAPT (0.49) ELANETP53POLBNPY5RPDE4D
SCHEMBL27810013 0.77 NOTUM (0.43) SCN9ANOTUMSLC5A1NPY5RPDE4D

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 3692/4885ELANE 791/4885NOTUM 4406/4885

“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.