SCHEMBL3060784

SCHEMBL3060784

CC(C)(C)C(=O)N(Cc1ccc(N2CCC(N3CCOCC3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CD38 P28907 1/20 0.40
ADRA1A P35348 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCR3 P49682 1/20 0.39
CHIA Q9BZP6 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ENPP2 Q13822 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3068398 0.92 HRH3 (0.44) AOC3HRH3KDM4EMEN1ALDH1A1
SCHEMBL3064704 0.91 AOC3 (0.47) AOC3KDM4EMEN1ALDH1A1MAPT
SCHEMBL3063912 0.84 CACNA1H (0.46) AOC3KDM4EALDH1A1MAPTME2
SCHEMBL3064722 0.83 AOC3 (0.45) AOC3KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3058884 0.83 TRPV1 (0.44) KDM4EALDH1A1TDP1ME2ME1
SCHEMBL8162530 0.83 TRPV1 (0.44) KDM4EALDH1A1TDP1ME2ME1
SCHEMBL4736200 0.82 PDK1 (0.44) AOC3HRH3CD38ADRA1AKDM4E
SCHEMBL3053852 0.82 ME2 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2ME2
SCHEMBL3048291 0.81 KCNH2 (0.45) HRH3KDM4EALDH1A1TDP1
SCHEMBL3057965 0.81 AOC3 (0.49) AOC3KDM4EMEN1ALDH1A1MAPT

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S AOC3 4426/4885HRH3 680/4885CD38 697/4885

“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.