SCHEMBL3065683

SCHEMBL3065683

CC(C)(C)OC(=O)N(Cc1ccc(Cl)nc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KCNQ4 P56696 3/20 0.40
KCNQ5 Q9NR82 3/20 0.40
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
GRM2 Q14416 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
BACE1 P56817 1/20 0.37
PDK1 Q15118 1/20 0.37
QPCT Q16769 1/20 0.37
KDM1A O60341 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL3071604 0.84 BCL2A1 (0.44) BCL2A1ALDH1A1LTB4R2KCNQ3KCNQ2
SCHEMBL3065942 0.83 CACNA1H (0.46) BCL2A1KCNQ4KCNQ5HDAC8HDAC6
SCHEMBL3066549 0.83 BCL2A1 (0.47) BCL2A1ALDH1A1LTB4R2KCNQ3KCNQ2
SCHEMBL6081384 0.81 MAPK14 (0.43) BCL2A1KCNQ4KCNQ5HDAC8HDAC6
SCHEMBL12675376 0.79 SSTR4 (0.38) ALDH1A1HDAC8HDAC6HDAC1GRM2
SCHEMBL18721166 0.79 KCNQ4 (0.43) BCL2A1KCNQ4KCNQ5HDAC8HDAC6
SCHEMBL3063916 0.79 KCNQ4 (0.43) BCL2A1KCNQ4KCNQ5HDAC8HDAC6
SCHEMBL3053803 0.79 HDAC1 (0.40) BCL2A1ALDH1A1HDAC8HDAC6HDAC1
SCHEMBL2067736 0.79 ALDH1A1 (0.48) ALDH1A1NPC1RAB9A
SCHEMBL8173113 0.79 PTPRB (0.49) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 BCL2A1 956/4885ALDH1A1 957/4885KCNQ4 48/4885

“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.