SCHEMBL3233286

SCHEMBL3233286

COCCCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
DRD4 P21917 4/20 0.33
DRD2 P14416 3/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
FLT3 P36888 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
HTR1A P08908 3/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL13291842 0.97 TRPV1 (0.36) TRPV1DRD4DRD2HCRTR1HCRTR2
SCHEMBL13291811 0.96 TRPV1 (0.37) TRPV1DRD4DRD2HCRTR1HCRTR2
SCHEMBL13291810 0.96 TRPV1 (0.39) TRPV1DRD4DRD2HCRTR1HCRTR2
SCHEMBL13291839 0.95 DRD4 (0.34) TRPV1DRD4DRD2HCRTR1HCRTR2
SCHEMBL13291797 0.93 TRPV1 (0.33) TRPV1HCRTR2
SCHEMBL13291801 0.92 TRPV1 (0.32) TRPV1
SCHEMBL13291795 0.92 TRPV1 (0.32) TRPV1
SCHEMBL13291798 0.91 TRPV1 (0.32) TRPV1
SCHEMBL13291803 0.91 TRPV1 (0.31) TRPV1
SCHEMBL13383746 0.90 TRPV1 (0.32) TRPV1DRD4DRD2HCRTR1HCRTR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745495-B2 Pyridine ketones with herbicidal effect SYNGENTA CROP PROTECTION, INC. (US) 2010-06-29 US disclosed
US-7745495-B2 Pyridine ketones with herbicidal effect SYNGENTA CROP PROTECTION, INC. (US) 2010-06-29 US disclosed
US-7745495-B2 Pyridine ketones with herbicidal effect SYNGENTA CROP PROTECTION, INC. (US) 2010-06-29 US disclosed
US-20090197767-A1 PYRIDINE KETONES WITH HERBICIDAL EFFECT SYNGENTA CROP PROTECTION, INC. (US) 2009-08-06 US disclosed
US-20090197767-A1 PYRIDINE KETONES WITH HERBICIDAL EFFECT SYNGENTA CROP PROTECTION, INC. (US) 2009-08-06 US disclosed
US-20090197767-A1 PYRIDINE KETONES WITH HERBICIDAL EFFECT SYNGENTA CROP PROTECTION, INC. (US) 2009-08-06 US disclosed
EP-1828132-B1 PYRIDINE KETONES WITH HERBICIDAL EFFECT SYNGENTA PARTICIPATIONS AG (CH) 2008-11-19 EP disclosed
EP-1886561-A1 Method of protecting crop plants from herbicidal injury caused by HPPD-inhibitor herbicides Syngenta Limited (GB) 2008-02-13 EP disclosed
WO-2008009394-A2 METHOD OF PROTECTING CROP PLANTS FROM HERBICIDAL INJURY CAUSED BY HPPD-INHIBITOR HERBICIDES SYNGENTA LIMITED (GB) 2008-01-24 WO disclosed
EP-1828132-A1 PYRIDINE KETONES WITH HERBICIDAL EFFECT Syngeta Participations AG (CH) 2007-09-05 EP disclosed
WO-2006066871-A1 PYRIDINE KETONES WITH HERBICIDAL EFFECT SYNGENTA PARTICIPATIONS AG (CH) 2006-06-29 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-20090197767-A1 PYRIDINE KETONES WITH HERBICIDAL EFFECT CBR3, CBR1, AKR1C3 TRPV1 2565/4885DRD4 589/4885DRD2 672/4885

“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.