SCHEMBL4295646

SCHEMBL4295646

COc1cc(OC(F)(F)F)ccc1-c1cc(NC(O)Cc2ccccc2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.49
CYP2C19 P33261 10/20 0.49
CYP1A2 P05177 9/20 0.49
TSHR P16473 8/20 0.49
MAPK1 P28482 7/20 0.49
CLK4 Q9HAZ1 7/20 0.49
HSD17B10 Q99714 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HIF1A Q16665 4/20 0.49
TP53 P04637 3/20 0.49
CYP2C9 P11712 2/20 0.49
FAAH O00519 7/20 0.48
CYP3A4 P08684 7/20 0.46
USP2 O75604 3/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL3406640 0.82 FAAH (0.72) FAAH
SCHEMBL13663338 0.82 FAAH (0.72) FAAH
Trifluoroacetic Acid SCHEMBL4304104 0.80 FAAH (0.66) FAAH
SCHEMBL4441291 0.76 FAAH (0.67) FAAH
SCHEMBL4304107 0.76 FAAH (0.53) CYP2D6CYP2C19CYP1A2TSHRMAPK1
SCHEMBL3404874 0.69 FAAH (0.73) FAAH
SCHEMBL3433537 0.67 HPGDS (0.42) CYP2D6CYP2C19CYP1A2TSHRMAPK1
SCHEMBL4294650 0.66 FAAH (0.66) FAAHABL1BCR
SCHEMBL13663604 0.66 FAAH (0.66) FAAHABL1BCR
SCHEMBL13663517 0.66 FAAH (0.66) FAAHABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254415-B1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP claimed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US claimed

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 CYP2D6 1061/4885CYP2C19 674/4885CYP1A2 524/4885

“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.