SCHEMBL896482

SCHEMBL896482

O=C(Nc1cccnc1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.62
HIF1A Q16665 2/20 0.58
EPAS1 Q99814 2/20 0.58
CYP2D6 P10635 1/20 0.54
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA2 P54646 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
GPR183 P32249 1/20 0.52

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
SCHEMBL896841 0.88 FAAH (0.77) FAAH
SCHEMBL896789 0.88 FAAH (0.70) FAAH
SCHEMBL897048 0.88 FAAH (0.66) FAAH
SCHEMBL896917 0.87 FAAH (0.64) FAAHCYP2D6
SCHEMBL896733 0.87 FAAH (0.83) FAAH
SCHEMBL896360 0.84 FAAH (0.69) FAAHCYP2D6
SCHEMBL896343 0.84 FAAH (0.77) FAAH
SCHEMBL897046 0.83 FAAH (0.61) FAAHCYP2D6
SCHEMBL12991385 0.83 FAAH (0.68) FAAHCYP2D6
SCHEMBL896983 0.83 FAAH (0.63) FAAHCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH FAAH 1/4885HIF1A 563/4885EPAS1 671/4885

“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.