SCHEMBL4303333

SCHEMBL4303333

O=C(O[C@@H](CNc1ncnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.45
TRPV3 Q8NET8 2/20 0.41
TPH1 P17752 3/20 0.39
SCN9A Q15858 1/20 0.37
PDPK1 O15530 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
RORC P51449 1/20 0.36
MTTP P55157 1/20 0.35
TACR1 P25103 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SLC6A9 P48067 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL4297366 0.85 FAAH (0.50) FAAH
Trifluoroacetic Acid SCHEMBL4303325 0.83 FAAH (0.57) FAAHTRPV3TPH1
SCHEMBL4295329 0.81 FAAH (0.69) FAAH
SCHEMBL3408600 0.81 FAAH (0.62) FAAHTRPV3
SCHEMBL13663433 0.81 FAAH (0.62) FAAHTRPV3
SCHEMBL4291955 0.74 FAAH (0.54) FAAH
SCHEMBL4297032 0.73 FAAH (0.52) FAAH
SCHEMBL4290239 0.72 FAAH (0.55) FAAH
SCHEMBL4294829 0.72 FAAH (0.65) FAAH
SCHEMBL4297639 0.71 FAAH (0.48) 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 1/4885TRPV3 2900/4885TPH1 11/4885

“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.