SCHEMBL16682127

SCHEMBL16682127

O=C(/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cc(C(F)(F)F)[nH]n1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
GRM4 Q14833 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.35
CRHR1 P34998 1/20 0.35
SLC6A9 P48067 5/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A5 Q9Y345 2/20 0.33
IDO1 P14902 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
XPO1 O14980 1/20 0.32
STK25 O00506 1/20 0.32

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
SCHEMBL16682166 0.99 CYP2D6 (0.47) CYP2D6GRM4MEN1KMT2AALOX15
SCHEMBL16675918 0.87 GRM4 (0.43) CYP2D6GRM4MEN1KMT2AALDH1A1
SCHEMBL16675913 0.86 GRM4 (0.42) CYP2D6GRM4MEN1KMT2ASLC6A9
SCHEMBL18556916 0.85 CYP2D6 (0.46) CYP2D6GRM4ALOX15CRHR1SLC6A9
SCHEMBL21093187 0.82 CYP2D6 (0.50) CYP2D6GRM4ALOX15CRHR1IDO1
SCHEMBL16860011 0.81 CYP2D6 (0.54) CYP2D6MEN1KMT2AALOX15SLC6A9
SCHEMBL16811839 0.81 CYP2D6 (0.54) CYP2D6MEN1KMT2AALOX15SLC6A9
SCHEMBL18556908 0.81 CYP2D6 (0.44) CYP2D6GRM4ALOX15CRHR1SLC6A9
SCHEMBL16682165 0.80 CYP2D6 (0.46) CYP2D6GRM4ALOX15CRHR1IDO1
SCHEMBL18119926 0.80 CYP2D6 (0.46) CYP2D6GRM4ALOX15XPO1

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 CYP2D6 3177/4885GRM4 1007/4885MEN1 3593/4885

“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.