SCHEMBL3401458

SCHEMBL3401458

O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(C2CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.50
CACNA1G O43497 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
MAOB P27338 1/20 0.47
ABL1 P00519 1/20 0.46
CDK2 P24941 5/20 0.45
CCNA2 P20248 4/20 0.45
CCNA1 P78396 4/20 0.45
CCNE1 P24864 2/20 0.45
CDK5 Q00535 2/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
WNT3A P56704 1/20 0.44
AIMP2 Q13155 1/20 0.43

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
SCHEMBL3404717 0.84 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IMAOBABL1
SCHEMBL3401016 0.83 MAOB (0.61) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3427852 0.80 WNT3A (0.59) CACNA1HCACNA1GCACNA1IMAOBWNT3A
SCHEMBL3428240 0.80 CACNA1H (0.53) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3423491 0.80 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IMAOBABL1
SCHEMBL3428296 0.79 CACNA1H (0.50) CACNA1HCACNA1GCACNA1IMAOBABL1
SCHEMBL3425994 0.79 MAOB (0.55) CACNA1HCACNA1GCACNA1IMAOBABL1
SCHEMBL3423501 0.78 CACNA1H (0.49) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3404731 0.77 MAOB (0.51) CACNA1HCACNA1GCACNA1IMAOBHDAC1
SCHEMBL3427571 0.77 CACNA1H (0.51) CACNA1HCACNA1GCACNA1IMAOBABL1

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.