SCHEMBL16682170

SCHEMBL16682170

O=C(CC1CCOCC1)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.43
TRPA1 O75762 3/20 0.41
AAK1 Q2M2I8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACHE P22303 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ1 P51787 1/20 0.37
SCN5A Q14524 1/20 0.37
CRHR1 P34998 3/20 0.37
GSK3A P49840 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDR P35968 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL16682116 0.92 GSK3B (0.44) GSK3BTRPA1HDAC6ACHEKCNQ3
SCHEMBL16675953 0.89 GSK3B (0.39) GSK3BAAK1ACHEGSK3AKDR
SCHEMBL16682137 0.83 GSK3B (0.50) GSK3BTRPA1AAK1HDAC6CRHR1
SCHEMBL16675934 0.81 GSK3B (0.39) GSK3BAAK1HDAC6ACHEGSK3A
SCHEMBL18556908 0.80 CYP2D6 (0.44) CRHR1CYP2D6CYP1A2
SCHEMBL16675955 0.77 GSK3B (0.43) GSK3BTRPA1HDAC6KDRCYP1A2
SCHEMBL16675897 0.77 PLK4 (0.40) CYP2D6
SCHEMBL18556896 0.75 GSK3B (0.52) GSK3BTRPA1AAK1HDAC6KCNQ3
SCHEMBL16675957 0.74 GSK3B (0.44) GSK3BAAK1ACHEGSK3ACYP1A2
SCHEMBL16675942 0.73 GSK3B (0.48) GSK3BAAK1GSK3ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C GSK3B 4407/4885TRPA1 4248/4885AAK1 733/4885

“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.