SCHEMBL4289871

SCHEMBL4289871

OB(O)c1ccccc1-c1ccc2c(C(F)(F)F)csc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
TRPA1 O75762 2/20 0.34
AR P10275 7/20 0.34
PGR P06401 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL4289867 0.75 HDAC6 (0.40) ARHSD17B1HSD17B2
SCHEMBL13660795 0.74 MGLL (0.40) MAPTCYP17A1
SCHEMBL26374995 0.70 AR (0.40) TRPA1ARPGRHSD17B1HSD17B2
SCHEMBL19997905 0.70 APP (0.36) MAPT
SCHEMBL24910022 0.69 KIF11 (0.50) ALDH1A1CYP1A2TSHRCYP2C19BACE1
SCHEMBL18791161 0.69 LMNA (0.38) MAPTARUSP2CYP17A1
SCHEMBL7394302 0.68 HSD11B1 (0.46) TRPA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30492726 0.68 CYP2A6 (0.45) MAPTMAOAMAOBBACE1
SCHEMBL9103428 0.68 CYP2A6 (0.45) MAPTMAOAMAOBBACE1
SCHEMBL6983163 0.68 NPY5R (0.46) TRPA1ARSCN9AUSP2ALDH1A1

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 MAPT 2771/4885TRPA1 1246/4885AR 3678/4885

“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.