SCHEMBL3427843

SCHEMBL3427843

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.59
EPHX2 P34913 3/20 0.51
PPARG P37231 2/20 0.51
ITK Q08881 2/20 0.49
KLKB1 P03952 1/20 0.49
NAMPT P43490 2/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
KCNH2 Q12809 2/20 0.46
METTL3 Q86U44 2/20 0.46
METTL14 Q9HCE5 2/20 0.46
DRD5 P21918 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
SCHEMBL3428496 0.91 CHRNA7 (0.52) CHRNA7EPHX2PPARGITKNAMPT
SCHEMBL4306621 0.91 CHRNA7 (0.50) CHRNA7EPHX2PPARGITKKLKB1
SCHEMBL7987320 0.86 ITK (0.49) CHRNA7EPHX2ITKNAMPT
SCHEMBL3425865 0.85 CHRNA7 (0.56) CHRNA7EPHX2PPARGKLKB1CACNA1G
SCHEMBL4306623 0.85 EPHX2 (0.47) CHRNA7EPHX2PPARGKLKB1NAMPT
SCHEMBL3427954 0.84 EPHX2 (0.46) CHRNA7EPHX2PPARGKLKB1NAMPT
SCHEMBL3403931 0.84 CHRNA7 (0.52) CHRNA7EPHX2PPARGKLKB1CACNA1G
SCHEMBL3430846 0.84 CHRNA7 (0.58) CHRNA7EPHX2PPARGKLKB1CACNA1G
SCHEMBL3405036 0.83 L3MBTL1 (0.58) KLKB1NAMPTCACNA1GCACNA1HCACNA1I
SCHEMBL3426192 0.81 CACNA1G (0.52) CHRNA7EPHX2PPARGKLKB1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
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
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN 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 CHRNA7 8/4885EPHX2 3581/4885PPARG 169/4885

“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.