SCHEMBL3064722

SCHEMBL3064722

CC(C)(C)C(=O)N(Cc1ccc(N2CCCCC2)nc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
CACNA1H O95180 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
ME2 P23368 2/20 0.41
ME1 P48163 2/20 0.41
ME3 Q16798 2/20 0.41
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SLC27A1 Q6PCB7 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL3063912 0.99 CACNA1H (0.46) AOC3CACNA1HOPRM1OPRK1ME2
SCHEMBL3059061 0.91 OPRM1 (0.45) AOC3CACNA1HOPRM1OPRK1ME2
SCHEMBL3053852 0.91 ME2 (0.43) OPRM1OPRK1ME2ME1ME3
SCHEMBL3064704 0.90 AOC3 (0.47) AOC3ME2ME1ME3HSD17B10
SCHEMBL3068398 0.89 HRH3 (0.44) AOC3CACNA1HOPRM1OPRK1ME2
SCHEMBL3057965 0.89 AOC3 (0.49) AOC3OPRM1OPRK1ME2ME1
SCHEMBL3065998 0.88 KDM4E (0.46) HSD17B10KDM4EALDH1A1TSHRPOLB
SCHEMBL3053088 0.87 KDM4E (0.46) AOC3KDM4EALDH1A1TSHRPOLB
Hydrochloric Acid SCHEMBL3049230 0.86 KDM4E (0.48) AOC3KDM4EALDH1A1TSHRPOLB
SCHEMBL8162530 0.85 TRPV1 (0.44) OPRM1OPRK1ME2ME1ME3

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 4426/4885CACNA1H 13/4885OPRM1 483/4885

“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.