SCHEMBL3064704

SCHEMBL3064704

CC(C)(C)C(=O)N(Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DGAT1 O75907 1/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 3/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ME2 P23368 2/20 0.40
ME1 P48163 2/20 0.40
ME3 Q16798 2/20 0.40
HSD17B10 Q99714 2/20 0.40
WNT3A P56704 1/20 0.40

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
SCHEMBL3060784 0.91 AOC3 (0.41) AOC3CYP11B1CYP11B2DGAT1MAPT
SCHEMBL3063912 0.91 CACNA1H (0.46) AOC3RAB9AMAPTALDH1A1KDM4E
SCHEMBL3064722 0.90 AOC3 (0.45) AOC3RAB9AMAPTALDH1A1KDM4E
SCHEMBL3053852 0.89 ME2 (0.43) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3066221 0.89 AOC3 (0.47) AOC3CYP11B1CYP11B2NPC1RAB9A
SCHEMBL3057965 0.87 AOC3 (0.49) AOC3MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3065998 0.86 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL3059061 0.85 OPRM1 (0.45) AOC3RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3068398 0.84 HRH3 (0.44) AOC3ALDH1A1KDM4EME2ME1
SCHEMBL8162530 0.83 TRPV1 (0.44) ALDH1A1KDM4EME2ME1ME3

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 4426/4885CYP11B1 1194/4885CYP11B2 1249/4885

“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.