SCHEMBL3398044

SCHEMBL3398044

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.50
OPRD1 P41143 7/20 0.50
OPRK1 P41145 5/20 0.50
KLKB1 P03952 2/20 0.50
NAMPT P43490 1/20 0.48
GRN P28799 1/20 0.47
SORT1 Q99523 1/20 0.47
EPHX2 P34913 1/20 0.46
CHRNA7 P36544 1/20 0.45
GSK3B P49841 1/20 0.45
ROCK1 Q13464 2/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
CHEK2 O96017 1/20 0.45
PRKCG P05129 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45
RET P07949 1/20 0.45
ROS1 P08922 1/20 0.45
FER P16591 1/20 0.45

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
SCHEMBL3404727 0.92 OPRM1 (0.50) OPRM1OPRD1OPRK1KLKB1NAMPT
SCHEMBL3405056 0.90 CHRNA7 (0.50) OPRM1OPRD1OPRK1KLKB1CHRNA7
SCHEMBL3428967 0.86 HPGD (0.60) EPHX2CHRNA7MAPK14LMNACYP3A4
SCHEMBL4302834 0.85 HDAC1 (0.49) KLKB1NAMPTEPHX2CHRNA7HTT
SCHEMBL3405026 0.85 CHRNA7 (0.49) KLKB1NAMPTEPHX2CHRNA7
SCHEMBL1111610 0.84 EPHX2 (0.49) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL3403931 0.83 CHRNA7 (0.52) KLKB1EPHX2CHRNA7KCNH2
SCHEMBL3430975 0.83 CHRNA7 (0.48) KLKB1NAMPTEPHX2CHRNA7ROCK1
SCHEMBL4307365 0.83 KLKB1 (0.50) KLKB1NAMPTEPHX2CHRNA7
SCHEMBL3427971 0.82 HPGDS (0.65) KLKB1NAMPTEPHX2GSK3BROCK1

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
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
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 OPRM1 136/4885OPRD1 102/4885OPRK1 168/4885

“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.