SCHEMBL3048057

SCHEMBL3048057

CC(C)(C)C(=O)N(Cc1ccc(N2CCN(c3nccs3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.39
ME1 P48163 2/20 0.39
ME3 Q16798 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
SCD O00767 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
PPARG P37231 1/20 0.36
PKM P14618 1/20 0.35
SLC27A1 Q6PCB7 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 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
SCHEMBL3053852 0.88 ME2 (0.43) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3063912 0.85 CACNA1H (0.46) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3065998 0.85 KDM4E (0.46) ALDH1A1KDM4ETSHRHTR1ADRD2
SCHEMBL3064722 0.85 AOC3 (0.45) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3059061 0.84 OPRM1 (0.45) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3057965 0.84 AOC3 (0.49) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3064704 0.83 AOC3 (0.47) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3068398 0.79 HRH3 (0.44) ME2ME1ME3ALDH1A1KDM4E
SCHEMBL3048291 0.79 KCNH2 (0.45) ALDH1A1KDM4ETSHR
SCHEMBL8162530 0.79 TRPV1 (0.44) ME2ME1ME3ALDH1A1KDM4E

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 ME2 1505/4885ME1 2303/4885ME3 1807/4885

“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.