SCHEMBL3429316

SCHEMBL3429316

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.50
CACNA1I Q9P0X4 5/20 0.48
CACNA1G O43497 4/20 0.48
CHRNA7 P36544 4/20 0.47
MAOB P27338 1/20 0.45
RIOK2 Q9BVS4 1/20 0.44
KCNH2 Q12809 3/20 0.43
CNR2 P34972 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
WNT3A P56704 2/20 0.41
ABL1 P00519 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
SCHEMBL3428055 0.92 CACNA1H (0.50) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL4305469 0.89 CACNA1H (0.51) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL3428296 0.87 CACNA1H (0.50) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL4296239 0.86 CACNA1H (0.49) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL3427134 0.85 MAOB (0.56) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL3428240 0.85 CACNA1H (0.53) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL3423491 0.85 CACNA1H (0.51) CACNA1HCACNA1ICACNA1GMAOBRIOK2
SCHEMBL3405039 0.85 CACNA1H (0.48) CACNA1HCACNA1ICACNA1GCHRNA7MAOB
SCHEMBL3423501 0.84 CACNA1H (0.49) CACNA1HCACNA1ICACNA1GMAOBRIOK2
SCHEMBL3404731 0.83 MAOB (0.51) CACNA1HCACNA1ICACNA1GMAOBRIOK2

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

“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.