SCHEMBL16682137

SCHEMBL16682137

CC(C)(C)N/C(=N/C(=O)CC1CCOCC1)Nc1n[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.50
HDAC6 Q9UBN7 1/20 0.41
AAK1 Q2M2I8 4/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CRHR1 P34998 1/20 0.38
GSK3A P49840 3/20 0.38
GAK O14976 2/20 0.37
STK16 O75716 2/20 0.37
BMP2K Q9NSY1 2/20 0.37
MAPK1 P28482 2/20 0.37
TRPA1 O75762 2/20 0.37
MAP2K4 P45985 1/20 0.37
MAPK6 Q16659 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
KDR P35968 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL18556896 0.91 GSK3B (0.52) GSK3BHDAC6AAK1HDAC1HDAC2
SCHEMBL16675962 0.89 GSK3B (0.40) GSK3BAAK1GSK3AMAPK1PIK3CD
SCHEMBL16682170 0.83 GSK3B (0.43) GSK3BHDAC6AAK1HDAC1HDAC2
SCHEMBL18556955 0.81 GSK3B (0.53) GSK3BHDAC6AAK1HDAC1HDAC2
SCHEMBL16675966 0.80 GSK3B (0.41) GSK3BHDAC6AAK1GSK3AMAPK1
SCHEMBL16682178 0.78 CNR2 (0.40) GSK3BCRHR1CNR1CNR2CDK2
SCHEMBL16675957 0.76 GSK3B (0.44) GSK3BAAK1GSK3AGAKSTK16
SCHEMBL19976814 0.75 MAPT (0.47) GSK3BHDAC6MAPK1KDR
SCHEMBL16682116 0.75 GSK3B (0.44) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL19976725 0.74 GSK3B (0.52) GSK3BHDAC6HDAC1HDAC2HDAC8

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 4407/4885HDAC6 306/4885AAK1 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.