SCHEMBL4301358

SCHEMBL4301358

CCOc1ccc(-c2cc(NC[C@H](OC(=O)C(F)(F)F)c3ccccc3)ncn2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 0.52
CYP1A2 P05177 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL4301356 0.87 FAAH (0.65) FAAH
SCHEMBL4294872 0.84 FAAH (0.60) FAAH
SCHEMBL4296770 0.83 FAAH (0.75) FAAH
SCHEMBL13663442 0.83 FAAH (0.75) FAAH
SCHEMBL4298554 0.82 FAAH (0.53) FAAH
SCHEMBL4295675 0.82 FAAH (0.60) FAAH
SCHEMBL4295425 0.82 FAAH (0.60) FAAH
SCHEMBL4297038 0.81 FAAH (0.57) FAAH
SCHEMBL4304107 0.81 FAAH (0.53) FAAHCYP1A2CLK4TP53CYP2D6
SCHEMBL4290033 0.81 FAAH (0.57) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598202-B2 Aryl-hydroxyethylamino-pyrimidines and triazines as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US 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-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 FAAH 1/4885CYP1A2 524/4885CLK4 3669/4885

“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.