SCHEMBL2199384

SCHEMBL2199384

CCOC(=O)c1c(C)nn(-c2cccc(OC(F)(F)F)c2)c1C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.67
PDE4B Q07343 2/20 0.64
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.52
P2RY12 Q9H244 1/20 0.50
NPC1 O15118 4/20 0.49
SLC34A1 Q06495 2/20 0.49
NPY5R Q15761 1/20 0.47

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
SCHEMBL6070321 0.88 PDE4D (0.77) PDE4DPDE4BRAB9AMAPTNPSR1
SCHEMBL2201823 0.87 PDE4D (0.75) PDE4DPDE4BRAB9AMAPTNPSR1
SCHEMBL2200191 0.87 RAB9A (0.57) PDE4DPDE4BRAB9AMAPTNPSR1
SCHEMBL2201286 0.86 PDE4D (0.67) PDE4DPDE4BRAB9AMAPTNPSR1
SCHEMBL2199932 0.86 PDE4D (0.49) PDE4DPDE4BNPSR1ALDH1A1SLC34A1
SCHEMBL2200720 0.85 ALDH1A1 (0.49) PDE4DPDE4BNPSR1ALDH1A1SLC34A1
SCHEMBL6070540 0.84 PDE4D (0.72) PDE4DPDE4BRAB9AMAPTNPSR1
SCHEMBL6070622 0.84 PDE4D (0.76) PDE4DPDE4BRAB9AMAPTNPSR1
SCHEMBL2200824 0.84 PDE4D (0.47) PDE4DPDE4BNPSR1ALDH1A1SLC34A1
SCHEMBL2202525 0.83 PDE4D (0.47) PDE4DPDE4BNPSR1ALDH1A1SLC34A1

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 607/4885RAB9A 3187/4885

“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.