SCHEMBL3065671

SCHEMBL3065671

CC(C)(C)OC(=O)N(Cc1cccc(I)c1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
GRM2 Q14416 1/20 0.38
HTR2A P28223 2/20 0.38
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.37
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
F2 P00734 1/20 0.36
ACHE P22303 1/20 0.36
LTB4R2 Q9NPC1 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
SCHEMBL3063916 0.85 KCNQ4 (0.43) KCNQ4KCNQ5CHRM2CHRM1CHRM3
SCHEMBL27302319 0.81 RIPK1 (0.45) KCNQ4KCNQ5CHRM2CHRM1CHRM3
SCHEMBL3830101 0.81 ALDH1A1 (0.44) CHRM2CHRM1CHRM3HTR2ALMNA
SCHEMBL19922245 0.80 AKT1 (0.47) CHRM2CHRM1CHRM3HDAC1
SCHEMBL3058213 0.79 CHRM1 (0.44) KCNQ4KCNQ5CHRM2CHRM1CHRM3
SCHEMBL3064159 0.79 CHRM1 (0.42) KCNQ4KCNQ5CHRM2CHRM1CHRM3
SCHEMBL8755191 0.79 RIPK1 (0.44) CHRM2CHRM1CHRM3HDAC6HDAC1
SCHEMBL18721166 0.78 KCNQ4 (0.43) KCNQ4KCNQ5CHRM2CHRM1CHRM3
SCHEMBL8289776 0.77 F2 (0.38) KCNQ4KCNQ5CHRM1CHRM3GRM2
SCHEMBL15687995 0.76 HDAC3 (0.53) HDAC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP disclosed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP disclosed
EP-2091917-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-08-26 EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073934-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S KCNQ4 48/4885KCNQ5 40/4885CHRM2 223/4885

“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.