SCHEMBL3068398

SCHEMBL3068398

CC(C)(C)C(=O)N(Cc1ccc(N2CCC(N3CCCC3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
CXCR3 P49682 1/20 0.40
CACNA1H O95180 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHIA Q9BZP6 1/20 0.38
ME2 P23368 2/20 0.38
ME1 P48163 2/20 0.38
ME3 Q16798 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
AOC3 Q16853 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
SCHEMBL3060784 0.92 AOC3 (0.41) HRH3CXCR3KDM4EMEN1ALDH1A1
SCHEMBL3063912 0.90 CACNA1H (0.46) CACNA1HKDM4EALDH1A1ME2ME1
SCHEMBL3064722 0.89 AOC3 (0.45) CACNA1HKDM4EALDH1A1ME2ME1
SCHEMBL8162530 0.85 TRPV1 (0.44) L3MBTL1KDM4EALDH1A1TDP1ME2
SCHEMBL3058884 0.85 TRPV1 (0.44) L3MBTL1KDM4EALDH1A1TDP1ME2
SCHEMBL3053852 0.84 ME2 (0.43) L3MBTL1KDM4EALDH1A1ME2ME1
SCHEMBL3064704 0.84 AOC3 (0.47) KDM4EMEN1ALDH1A1KMT2AME2
SCHEMBL3048291 0.83 KCNH2 (0.45) HRH3KDM4EALDH1A1TDP1
SCHEMBL3059061 0.83 OPRM1 (0.45) HRH3CACNA1HL3MBTL1KDM4EALDH1A1
SCHEMBL3057965 0.83 AOC3 (0.49) L3MBTL1KDM4EMEN1ALDH1A1KMT2A

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 HRH3 680/4885CXCR3 3555/4885CACNA1H 13/4885

“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.