SCHEMBL3428087

SCHEMBL3428087

CN1CCCc2cc(CNC(=O)c3ccc(SC(F)(F)F)cc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PRKAA1 Q13131 1/20 0.58
PRKAG3 Q9UGI9 1/20 0.58
PRKAG2 Q9UGJ0 1/20 0.58
PRKAB1 Q9Y478 1/20 0.58
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
IDO1 P14902 3/20 0.51
KCNH2 Q12809 3/20 0.51
TP53 P04637 4/20 0.50
NAMPT P43490 1/20 0.50
LMNA P02545 7/20 0.46
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL3427360 0.94 EPHX2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4296210 0.84 LMNA (0.66) EPHX2NR1H4IDO1TP53LMNA
SCHEMBL27370791 0.79 PRKAB2 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21945107 0.79 LMNA (0.64) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3399338 0.78 PRKAB2 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25780604 0.76 TP53 (0.66) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3423525 0.75 EPHX2 (0.57) EPHX2NR1H4TP53NAMPTLMNA
SCHEMBL2284622 0.75 EPHX2 (0.59) EPHX2NR1H4NAMPTLMNAMAPT
SCHEMBL25780341 0.75 TP53 (0.74) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2287895 0.74 LMNA (0.72) EPHX2NR1H4NAMPTLMNAMAPT

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.