SCHEMBL4297032

SCHEMBL4297032

O=C(O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ncn1)c1ccccc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.52
CYP1A2 P05177 5/20 0.49
TSHR P16473 5/20 0.49
CYP2C19 P33261 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 3/20 0.49
HIF1A Q16665 2/20 0.49
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CLK4 Q9HAZ1 1/20 0.43
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4295329 0.87 FAAH (0.69) FAAH
Trifluoroacetic Acid SCHEMBL4297029 0.85 FAAH (0.68) FAAH
SCHEMBL13663339 0.83 FAAH (0.74) FAAH
SCHEMBL3409714 0.83 FAAH (0.74) FAAH
SCHEMBL4305856 0.82 FAAH (0.48) FAAH
SCHEMBL4297639 0.82 FAAH (0.48) FAAH
SCHEMBL4290239 0.82 FAAH (0.55) FAAH
SCHEMBL4294510 0.82 FAAH (0.71) FAAH
SCHEMBL4297907 0.81 FAAH (0.72) FAAH
SCHEMBL4298639 0.81 FAAH (0.53) 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 524/4885TSHR 863/4885

“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.