SCHEMBL3404458

SCHEMBL3404458

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.56
KCNH2 Q12809 2/20 0.50
KLKB1 P03952 1/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
EPHX2 P34913 2/20 0.42
PPARG P37231 2/20 0.42
DRD5 P21918 1/20 0.42
HDAC1 Q13547 1/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
ADRB2 P07550 1/20 0.40
GSK3B P49841 1/20 0.40
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39

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
SCHEMBL3427389 0.92 CHRNA7 (0.49) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL3427649 0.89 CHRNA7 (0.52) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL1115212 0.87 CHRNA7 (0.43) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL3399503 0.87 CHRNA7 (0.49) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL3430270 0.85 ALDH1A1 (0.51) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL3426525 0.85 CHRNA7 (0.59) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL3425209 0.85 CHRNA7 (0.58) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL4293842 0.85 CHRNA7 (0.48) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL3399152 0.84 CACNA1G (0.48) CHRNA7KCNH2KLKB1CACNA1GCACNA1H
SCHEMBL4302415 0.83 RET (0.48) CHRNA7KCNH2KLKB1CACNA1GCACNA1H

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 CHRNA7 8/4885KCNH2 826/4885KLKB1 4076/4885

“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.