SCHEMBL3428240

SCHEMBL3428240

O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.53
CACNA1G O43497 2/20 0.52
CACNA1I Q9P0X4 2/20 0.52
CHRNA7 P36544 3/20 0.50
RIOK2 Q9BVS4 1/20 0.49
MAOB P27338 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KCNH2 Q12809 1/20 0.44
WNT3A P56704 2/20 0.43
PTGS1 P23219 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CSF1R P07333 2/20 0.43
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3429316 0.85 CACNA1H (0.50) CACNA1HCACNA1GCACNA1ICHRNA7RIOK2
SCHEMBL3427571 0.84 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IRIOK2MAOB
SCHEMBL4305469 0.84 CACNA1H (0.51) CACNA1HCACNA1GCACNA1ICHRNA7RIOK2
SCHEMBL3402194 0.83 MAOB (0.62) CACNA1HCACNA1GCACNA1ICHRNA7MAOB
SCHEMBL4296239 0.82 CACNA1H (0.49) CACNA1HCACNA1GCACNA1ICHRNA7RIOK2
SCHEMBL4296217 0.81 CACNA1H (0.52) CACNA1HCACNA1GCACNA1ICHRNA7RIOK2
SCHEMBL3423491 0.80 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IRIOK2MAOB
SCHEMBL3427852 0.80 WNT3A (0.59) CACNA1HCACNA1GCACNA1IMAOBWNT3A
SCHEMBL3401458 0.80 CACNA1H (0.50) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3428296 0.80 CACNA1H (0.50) CACNA1HCACNA1GCACNA1ICHRNA7RIOK2

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 CACNA1H 409/4885CACNA1G 380/4885CACNA1I 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.