SCHEMBL3399503

SCHEMBL3399503

CCOc1ccc(C(=O)NCc2ccc3[nH]ccc3c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
RET P07949 1/20 0.47
DRD5 P21918 1/20 0.46
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
KLKB1 P03952 1/20 0.45
KCNH2 Q12809 2/20 0.44
HDAC1 Q13547 1/20 0.43
POLB P06746 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4293842 0.92 CHRNA7 (0.48) CHRNA7CACNA1GCACNA1HCACNA1IDRD5
SCHEMBL3398080 0.92 METTL3 (0.50) CHRNA7RETABL1POLBALDH1A1
SCHEMBL3430270 0.90 ALDH1A1 (0.51) CHRNA7CACNA1GCACNA1HCACNA1IRET
SCHEMBL3424878 0.88 CHRNA7 (0.48) CHRNA7CACNA1GCACNA1HCACNA1IRET
SCHEMBL4302415 0.88 RET (0.48) CHRNA7CACNA1GCACNA1HCACNA1IRET
SCHEMBL3404458 0.87 CHRNA7 (0.56) CHRNA7CACNA1GCACNA1HCACNA1IDRD5
SCHEMBL3399152 0.86 CACNA1G (0.48) CHRNA7CACNA1GCACNA1HCACNA1IDRD5
SCHEMBL3427649 0.85 CHRNA7 (0.52) CHRNA7CACNA1GCACNA1HCACNA1IDRD5
SCHEMBL3404704 0.84 EPHX2 (0.58) CHRNA7KCNH2HDAC1POLBALDH1A1
SCHEMBL3430949 0.84 METTL3 (0.49) CHRNA7CACNA1GCACNA1HCACNA1IRET

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-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
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 CHRNA7 8/4885CACNA1G 380/4885CACNA1H 409/4885

“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.