SCHEMBL3399152

SCHEMBL3399152

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(Oc2ccccc2)cn1

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
KLKB1 P03952 4/20 0.47
CHRNA7 P36544 2/20 0.47
GSK3B P49841 1/20 0.47
DRD5 P21918 1/20 0.45
METTL3 Q86U44 1/20 0.45
METTL14 Q9HCE5 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
F2 P00734 1/20 0.44
TRPA1 O75762 1/20 0.44
MAPK14 Q16539 3/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.43
MMP13 P45452 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3430690 0.92 METTL3 (0.54) KLKB1METTL3METTL14OPRM1OPRD1
SCHEMBL3424878 0.91 CHRNA7 (0.48) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3430270 0.87 ALDH1A1 (0.51) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3399503 0.86 CHRNA7 (0.49) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3428967 0.86 HPGD (0.60) CHRNA7MAPK14LMNACYP3A4HTT
SCHEMBL3400005 0.85 HIF1A (0.53) CACNA1GCACNA1HCACNA1IKLKB1GSK3B
SCHEMBL4302415 0.84 RET (0.48) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL4293842 0.84 CHRNA7 (0.48) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3427649 0.84 CHRNA7 (0.52) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7
SCHEMBL3404458 0.84 CHRNA7 (0.56) CACNA1GCACNA1HCACNA1IKLKB1CHRNA7

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 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.