SCHEMBL3429601

SCHEMBL3429601

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(SC(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
KLKB1 P03952 2/20 0.47
CHRNA7 P36544 5/20 0.44
KCNH2 Q12809 2/20 0.42
DRD5 P21918 1/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
METTL3 Q86U44 2/20 0.41
METTL14 Q9HCE5 2/20 0.41
PTPRZ1 P23471 1/20 0.40
PPARG P37231 1/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
GSK3B P49841 1/20 0.40
PDPK1 O15530 1/20 0.40

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
SCHEMBL3428719 0.92 METTL3 (0.48) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3426525 0.84 CHRNA7 (0.59) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3425869 0.84 EPHX2 (0.59) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3427649 0.82 CHRNA7 (0.52) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3400706 0.82 CACNA1G (0.55) CACNA1GCACNA1HCACNA1IKLKB1DRD5
SCHEMBL3404458 0.81 CHRNA7 (0.56) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3400716 0.81 CACNA1G (0.52) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3427954 0.80 EPHX2 (0.46) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3430270 0.78 ALDH1A1 (0.51) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3400005 0.78 HIF1A (0.53) CACNA1GCACNA1HCACNA1IKLKB1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
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 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.