SCHEMBL3424868

SCHEMBL3424868

CCCOc1ccc(NC(=O)Cc2ccc3cc[nH]c3c2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.49
CACNA1H O95180 4/20 0.48
CACNA1G O43497 2/20 0.48
CACNA1I Q9P0X4 2/20 0.48
MAOB P27338 1/20 0.42
RIOK2 Q9BVS4 3/20 0.40
GLS O94925 2/20 0.39
GSK3A P49840 2/20 0.39
MAPK10 P53779 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ABL1 P00519 1/20 0.39
MAOA P21397 1/20 0.38
MAPK8 P45983 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
SNRK Q9NRH2 1/20 0.38
NOTUM Q6P988 1/20 0.38
ADORA1 P30542 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL3402493 0.93 MAOB (0.48) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3398051 0.93 NLRP3 (0.50) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3423405 0.89 NLRP3 (0.53) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3427420 0.86 NLRP3 (0.50) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3401462 0.84 MAOB (0.50) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3423472 0.83 CACNA1H (0.49) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3427915 0.83 NLRP3 (0.54) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3428066 0.81 MAOB (0.53) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3428042 0.78 NLRP3 (0.58) NLRP3CACNA1HCACNA1GCACNA1IMAOB
SCHEMBL3399668 0.78 CACNA1H (0.50) NLRP3CACNA1HCACNA1GCACNA1IRIOK2

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 NLRP3 1117/4885CACNA1H 409/4885CACNA1G 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.