SCHEMBL3428151

SCHEMBL3428151

CC(C)Oc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
DRD5 P21918 1/20 0.45
CHRNA7 P36544 5/20 0.43
METTL3 Q86U44 1/20 0.43
METTL14 Q9HCE5 1/20 0.43
KLKB1 P03952 3/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
NFATC1 O95644 1/20 0.40
KCNH2 Q12809 2/20 0.39
KLK1 P06870 1/20 0.39
GSK3B P49841 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TRPA1 O75762 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3429288 0.92 METTL3 (0.52) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL3428758 0.89 CACNA1G (0.51) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL3403269 0.86 CACNA1G (0.48) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL4299945 0.84 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL4302415 0.82 RET (0.48) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL4307365 0.82 KLKB1 (0.50) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL4305559 0.81 METTL3 (0.55) CACNA1GCACNA1HCACNA1IDRD5METTL3
SCHEMBL3429016 0.78 NR1H4 (0.59) CHRNA7KCNH2TAS1R3TAS1R1NPC1
SCHEMBL3399660 0.78 METTL3 (0.52) CACNA1GCACNA1HCACNA1IDRD5CHRNA7
SCHEMBL3427287 0.78 MAOB (0.50) CACNA1GCACNA1HCACNA1IABL1SRC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CACNA1G 380/4885CACNA1H 409/4885CACNA1I 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.