SCHEMBL3426192

SCHEMBL3426192

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(C(F)(F)F)nn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52
CACNA1I Q9P0X4 1/20 0.52
CHRNA7 P36544 5/20 0.51
KLKB1 P03952 2/20 0.48
KCNH2 Q12809 2/20 0.45
EPHX2 P34913 3/20 0.45
PPARG P37231 2/20 0.45
DRD5 P21918 1/20 0.45
METTL3 Q86U44 1/20 0.45
METTL14 Q9HCE5 1/20 0.45
GSK3B P49841 1/20 0.40
PDPK1 O15530 1/20 0.40
CCR2 P41597 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL1270819 0.86 MAPT (0.43) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3426525 0.81 CHRNA7 (0.59) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3427843 0.81 CHRNA7 (0.59) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3428758 0.81 CACNA1G (0.51) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3399409 0.79 CACNA1G (0.49) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3404746 0.79 GSK3B (0.50) CACNA1GCACNA1HCACNA1IKLKB1EPHX2
SCHEMBL3403269 0.78 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3404458 0.78 CHRNA7 (0.56) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3430846 0.78 CHRNA7 (0.58) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1
SCHEMBL3428151 0.78 CACNA1G (0.48) CACNA1GCACNA1HCACNA1ICHRNA7KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US 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 CACNA1G 380/4885CACNA1H 409/4885CACNA1I 415/4885

“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.