SCHEMBL13660795

SCHEMBL13660795

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
CYP17A1 P05093 1/20 0.34
MAPT P10636 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL4289871 0.74 MAPT (0.39) CYP17A1MAPT
SCHEMBL3407569 0.74 CYP2A6 (0.39) CYP17A1CA2
SCHEMBL18791161 0.74 LMNA (0.38) CYP17A1MAPTCA2
SCHEMBL14093011 0.71 KIF11 (0.45) CYP17A1MAPT
SCHEMBL3789433 0.70 MGLL (0.52) MGLLORAI1ORAI2ORAI3TRPV6
SCHEMBL29700447 0.70 MGLL (0.52) MGLLORAI1ORAI2ORAI3TRPV6
SCHEMBL16693236 0.70 KIF11 (0.41) CYP17A1
SCHEMBL14117289 0.70 MTNR1A (0.35) CYP17A1MAPT
SCHEMBL16693190 0.70 KDM4E (0.37) CYP17A1
SCHEMBL3790569 0.69 MGLL (0.47) MGLLORAI1ORAI2ORAI3TRPV6

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 4 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 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
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 WO 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 MGLL 111/4885CYP17A1 2394/4885MAPT 2771/4885

“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.