SCHEMBL3428246

SCHEMBL3428246

CC(C)Oc1ccc(NC(=O)Cc2ccc3cc[nH]c3c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.48
NLRP3 Q96P20 2/20 0.48
CACNA1G O43497 2/20 0.47
CACNA1I Q9P0X4 2/20 0.47
ABL1 P00519 2/20 0.44
WNT3A P56704 2/20 0.41
RIOK2 Q9BVS4 3/20 0.41
GSK3A P49840 2/20 0.41
MAPK10 P53779 2/20 0.41
MAPK8 P45983 2/20 0.40
MET P08581 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
SNRK Q9NRH2 1/20 0.40
MAOB P27338 1/20 0.39
GCK P35557 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3400033 0.92 CACNA1H (0.48) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL3400791 0.89 NLRP3 (0.51) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL3399668 0.88 CACNA1H (0.50) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL3423472 0.87 CACNA1H (0.49) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL3425810 0.86 RAB9A (0.50) CACNA1HNLRP3CACNA1GCACNA1IWNT3A
SCHEMBL3425399 0.84 NLRP3 (0.52) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL4300611 0.84 NLRP3 (0.58) CACNA1HNLRP3CACNA1GCACNA1IMAOA
SCHEMBL3403794 0.84 CACNA1H (0.51) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL3427420 0.83 NLRP3 (0.50) CACNA1HNLRP3CACNA1GCACNA1IABL1
SCHEMBL3428055 0.83 CACNA1H (0.50) CACNA1HNLRP3CACNA1GCACNA1IWNT3A

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 10 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
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US 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 409/4885NLRP3 1117/4885CACNA1G 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.