SCHEMBL3399338

SCHEMBL3399338

CN1CCCc2cc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PRKAG3 Q9UGI9 1/20 0.65
PRKAG2 Q9UGJ0 1/20 0.65
PRKAB1 Q9Y478 1/20 0.65
EPHX2 P34913 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 3/20 0.45
IDO1 P14902 2/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
TP53 P04637 4/20 0.43
DGAT1 O75907 1/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 2/20 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
SCHEMBL3428087 0.78 PRKAB2 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25781029 0.76 PRKAB2 (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3428105 0.76 CHRNA7 (0.58) EPHX2L3MBTL1CYP2C9CYP2C19CYP2J2
SCHEMBL27370791 0.74 PRKAB2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15351096 0.73 EPHX2 (0.59) EPHX2L3MBTL1KCNH2SCN5ASCN9A
SCHEMBL13876156 0.73 EPHX2 (0.81) EPHX2L3MBTL1CYP2C9CYP2C19CYP2J2
SCHEMBL4298964 0.73 EPHX2 (0.52) EPHX2L3MBTL1CYP2C9CYP2C19CYP2J2
SCHEMBL3401931 0.72 ALDH1A1 (0.57) EPHX2LMNAPOLB
SCHEMBL21945107 0.72 LMNA (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3425865 0.72 CHRNA7 (0.56) EPHX2L3MBTL1KCNH2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 PRKAB2 333/4885PRKAG1 231/4885PRKAA2 310/4885

“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.